Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
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Isotopically Labeled
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Found 118 results

Search term: C35H39N5O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28873

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1
C35H39N5O5609.71475014702
5422629

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27+,28-,29-,34+,35-/m0/s1
C35H39N5O5609.7147153164
88725

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)
C35H39N5O5609.7147121900
401124

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H39N5O5/c1-35(2,3)40-32(43)25-15-9-7-14-24(25)20-30(41)28(19-22-11-5-4-6-12-22)38-34(45)29(21-31(36)42)39-33(44)27-18-17-23-13-8-10-16-26(23)37-27/h4-18,28-30,41H,19-21H2,1-3H3,(H2,36,42)(H,38,45)(H,39,44)(H,40,43)/t28-,29-,30+/m0/s1
C35H39N5O5609.7147121100
22496578

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H39N5O5/c41-32(36-21-29-9-6-20-45-29)24-39-31-11-5-4-10-30(31)34(43)40(35(39)44)23-26-12-14-27(15-13-26)33(42)37-28-16-18-38(19-17-28)22-25-7-2-1-3-8-25/h1-5,7-8,10-15,28-29H,6,9,16-24H2,(H,36,41)(H,37,42)
C35H39N5O5609.71477500
22677244
InChI=1/C35H39N5O5/c1-43-29-13-10-27(11-14-29)35(42)40(21-18-26-8-5-4-6-9-26)25-34(41)39-20-7-19-38(22-23-39)33-17-15-30(36-37-33)28-12-16-31(44-2)32(24-28)45-3/h4-6,8-17,24H,7,18-23,25H2,1-3H3
C35H39N5O5609.71477600
22677620

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H39N5O5/c1-25(26-10-6-5-7-11-26)40(35(42)27-12-8-13-28(22-27)43-2)24-34(41)39-19-9-18-38(20-21-39)33-17-16-31(36-37-33)30-15-14-29(44-3)23-32(30)45-4/h5-8,10-17,22-23,25H,9,18-21,24H2,1-4H3
C35H39N5O5609.71477600
411502

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H39N5O5/c1-35(2,3)40-32(43)25-15-9-7-14-24(25)20-30(41)28(19-22-11-5-4-6-12-22)38-34(45)29(21-31(36)42)39-33(44)27-18-17-23-13-8-10-16-26(23)37-27/h4-18,28-30,41H,19-21H2,1-3H3,(H2,36,42)(H,38,45)(H,39,44)(H,40,43)/t28-,29-,30-/m0/s1
C35H39N5O5609.71475500
2497666

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H39N5O5/c1-45-34(44)35(20-24-10-4-2-5-11-24)31-26(22-40(35)32(42)25-12-6-3-7-13-25)18-28-27(31)19-29(33(43)37-14-8-9-15-37)39(28)17-16-38-23-36-21-30(38)41/h2-7,10-13,19,26,31,36H,8-9,14-18,20-23H2,1H3/t26-,31+,35+/m0/s1
C35H39N5O5609.71475400
2497674

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H39N5O5/c1-22-16-26(36-38(22)4)21-39-29-17-25-20-40(32(41)24-10-8-7-9-11-24)35(34(43)45-6,19-23-12-14-27(44-5)15-13-23)31(25)28(29)18-30(39)33(42)37(2)3/h7-16,18,25,31H,17,19-21H2,1-6H3/t25-,31+,35+/m0/s1
C35H39N5O5609.71475400
9731045

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C35H39N5O5/c1-44-30-21-28-29(36-23-25-9-6-13-39(25)35(28)43)22-31(30)45-20-3-2-12-37-14-16-38(17-15-37)18-19-40-33(41)26-10-4-7-24-8-5-11-27(32(24)26)34(40)42/h4-5,7-8,10-11,21-23,25H,2-3,6,9,12-20H2,1H3/t25-/m0/s1
C35H39N5O5609.71474300
9781646

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C35H39N5O5/c1-44-30-21-28-29(36-23-25-9-4-14-39(25)35(28)43)22-31(30)45-20-6-13-38-18-16-37(17-19-38)12-5-15-40-33(41)26-10-2-7-24-8-3-11-27(32(24)26)34(40)42/h2-3,7-8,10-11,21-23,25H,4-6,9,12-20H2,1H3/t25-/m0/s1
C35H39N5O5609.71474300
21474959

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34?,35+/m1/s1
C35H39N5O5609.71474200
23299342

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C35H39N5O5/c1-35(2,3)45-34(43)36-32-30-18-20-39(33(42)31(30)40(37-32)26-13-15-28(44-4)16-14-26)25-11-9-23(10-12-25)29-8-6-5-7-24(29)21-38-19-17-27(41)22-38/h5-16,27,41H,17-22H2,1-4H3,(H,36,37,43)/t27-/m1/s1
C35H39N5O5609.71474300
5036944

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27+,28-,29+,34-,35-/m0/s1
C35H39N5O5609.71474300
81384289

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C35H39N5O5/c1-24(41)40-29-11-4-3-10-27(29)28-16-19-39(18-5-6-20-44-32-22-25(21-30(28)40)14-15-31(32)43-2)34(42)13-7-12-33-37-35(38-45-33)26-9-8-17-36-23-26/h3-4,8-11,14-15,17,22-23,28,30H,5-7,12-13,16,18-21H2,1-2H3/t28-,30-/m1/s1
C35H39N5O5609.71473200
23260999

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H39N5O5/c36-32(23-27-16-18-28(41)19-17-27)45-40-31(22-26-14-8-3-9-15-26)35(44)39-30(21-25-12-6-2-7-13-25)34(43)38-29(33(37)42)20-24-10-4-1-5-11-24/h1-19,29-32,40-41H,20-23,36H2,(H2,37,42)(H,38,43)(H,39,44)/t29-,30-,31+,32+/m0/s1
C35H39N5O5609.71473300
23261050

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H39N5O5/c36-32(23-27-16-18-28(41)19-17-27)45-40-31(22-26-14-8-3-9-15-26)35(44)39-30(21-25-12-6-2-7-13-25)34(43)38-29(33(37)42)20-24-10-4-1-5-11-24/h1-19,29-32,40-41H,20-23,36H2,(H2,37,42)(H,38,43)(H,39,44)/t29-,30-,31-,32+/m0/s1
C35H39N5O5609.71473300
4172620

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H39N5O5/c1-24(25-10-6-5-7-11-25)36-34(41)28-22-26(37-35(42)38-29-16-15-27(43-2)23-33(29)45-4)14-17-30(28)39-18-20-40(21-19-39)31-12-8-9-13-32(31)44-3/h5-17,22-24H,18-21H2,1-4H3,(H,36,41)(H2,37,38,42)
C35H39N5O5609.7146599999983100
5036142

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27+,28+,29-,34-,35-/m1/s1
C35H39N5O5609.71473300
12345

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