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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 131 results

Search term: C36H41N3O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59276

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3
C36H41N3O6611.7272892021711
2443043

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H41N3O6/c1-23(40)24-11-10-14-28(19-24)39(33(41)18-17-25-22-37-30-16-9-8-15-29(25)30)34(36(42)38-27-12-6-5-7-13-27)26-20-31(43-2)35(45-4)32(21-26)44-3/h8-11,14-16,19-22,27,34,37H,5-7,12-13,17-18H2,1-4H3,(H,38,42)
C36H41N3O6611.727211500
2443046

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H41N3O6/c1-23(40)24-14-17-28(18-15-24)39(33(41)19-16-25-22-37-30-13-9-8-12-29(25)30)34(36(42)38-27-10-6-5-7-11-27)26-20-31(43-2)35(45-4)32(21-26)44-3/h8-9,12-15,17-18,20-22,27,34,37H,5-7,10-11,16,19H2,1-4H3,(H,38,42)
C36H41N3O6611.727211500
8050004

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3/t33-/m0/s1
C36H41N3O6611.72729900
21922769

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H41N3O6/c1-42-27-16-17-30(43-2)24(20-27)22-39-34(40)29-21-28-31(44-3)18-19-32(45-4)33(28)38(29)23-36(39,25-12-8-7-9-13-25)35(41)37-26-14-10-5-6-11-15-26/h7-9,12-13,16-21,26H,5-6,10-11,14-15,22-23H2,1-4H3,(H,37,41)
C36H41N3O6611.72728800
7985682

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3/t33-/m1/s1
C36H41N3O6611.72728800
401279

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H41N3O6/c40-33(31(21-27-13-5-1-6-14-27)38-35(42)44-25-29-17-9-3-10-18-29)23-37-24-34(41)32(22-28-15-7-2-8-16-28)39-36(43)45-26-30-19-11-4-12-20-30/h1-20,31-34,37,40-41H,21-26H2,(H,38,42)(H,39,43)/t31-,32-,33+,34+/m0/s1
C36H41N3O6611.72727600
7834125

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C36H41N3O6/c1-25(38-43-21-18-31-14-15-34(44-27(3)41)35(45-31)24-42-26(2)40)16-19-39-20-17-33-30(23-39)22-32(28-10-6-4-7-11-28)36(37-33)29-12-8-5-9-13-29/h4-15,22,31,34-35H,16-21,23-24H2,1-3H3/b38-25+/t31-,34-,35+/m0/s1
C36H41N3O6611.72725400
8707204
InChI=1/C36H41N3O6/c1-23-25(35(44)29-13-5-3-11-27(29)33(23)42)15-7-17-31(40)38-21-9-19-37-20-10-22-39-32(41)18-8-16-26-24(2)34(43)28-12-4-6-14-30(28)36(26)45/h3-6,11-14,37H,7-10,15-22H2,1-2H3,(H,38,40)(H,39,41)
C36H41N3O6611.72724300
58782813

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H41N3O6/c1-24-31(34(40)41)33(28-18-13-19-29(22-28)39(43)44)32(35(42)45-6)25(2)38(24)36(3,4)23-37(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33H,20-21,23H2,1-6H3,(H,40,41)
C36H41N3O6611.72723300
3153199

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H41N3O6/c1-4-43-32-14-10-9-13-31(32)37-19-21-38(22-20-37)34(41)24-39-26(3)35(36(42)44-5-2)30(23-33(39)40)28-15-17-29(18-16-28)45-25-27-11-7-6-8-12-27/h6-18,30H,4-5,19-25H2,1-3H3
C36H41N3O6611.72723100
5124042

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H41N3O6/c1-24-33(22-39(2)21-32(42)28-10-7-13-31(41)19-28)44-35(45-34(24)27-16-14-26(23-40)15-17-27)29-11-6-12-30(18-29)38-36(43)37-20-25-8-4-3-5-9-25/h3-19,24,32-35,40-42H,20-23H2,1-2H3,(H2,37,38,43)/t24-,32-,33+,34+,35+/m1/s1
C36H41N3O6611.72722100
5129366

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H41N3O6/c1-4-43-34(41)21-37-36(42)38-31-11-7-10-30(19-31)35-44-32(20-33(45-35)27-14-12-25(23-40)13-15-27)22-39(3)24(2)28-17-16-26-8-5-6-9-29(26)18-28/h5-19,24,32-33,35,40H,4,20-23H2,1-3H3,(H2,37,38,42)/t24-,32+,33-,35-/m1/s1
C36H41N3O6611.72722100
5129611

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H41N3O6/c1-39(23-33(42)30-8-5-9-31(41)18-30)22-32-19-34(28-14-12-27(24-40)13-15-28)45-35(44-32)29-16-10-26(11-17-29)21-38-36(43)37-20-25-6-3-2-4-7-25/h2-18,32-35,40-42H,19-24H2,1H3,(H2,37,38,43)/t32-,33+,34+,35+/m0/s1
C36H41N3O6611.72722100
5134860

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H41N3O6/c1-4-43-34(41)21-37-36(42)38-31-11-7-10-30(19-31)35-44-32(20-33(45-35)27-14-12-25(23-40)13-15-27)22-39(3)24(2)28-17-16-26-8-5-6-9-29(26)18-28/h5-19,24,32-33,35,40H,4,20-23H2,1-3H3,(H2,37,38,42)/t24-,32-,33+,35+/m1/s1
C36H41N3O6611.72722100
5135106

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H41N3O6/c1-39(23-33(42)30-8-5-9-31(41)18-30)22-32-19-34(28-14-12-27(24-40)13-15-28)45-35(44-32)29-16-10-26(11-17-29)21-38-36(43)37-20-25-6-3-2-4-7-25/h2-18,32-35,40-42H,19-24H2,1H3,(H2,37,38,43)/t32-,33-,34+,35+/m1/s1
C36H41N3O6611.72722100
5137064

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H41N3O6/c1-24-33(22-39(2)21-32(42)29-9-6-10-31(41)19-29)44-35(45-34(24)27-13-11-26(23-40)12-14-27)28-15-17-30(18-16-28)38-36(43)37-20-25-7-4-3-5-8-25/h3-19,24,32-35,40-42H,20-23H2,1-2H3,(H2,37,38,43)/t24-,32+,33+,34+,35+/m0/s1
C36H41N3O6611.72722100
5138164

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H41N3O6/c1-24-33(22-39(2)21-32(42)29-9-6-10-31(41)19-29)44-35(45-34(24)27-13-11-26(23-40)12-14-27)28-15-17-30(18-16-28)38-36(43)37-20-25-7-4-3-5-8-25/h3-19,24,32-35,40-42H,20-23H2,1-2H3,(H2,37,38,43)/t24-,32-,33+,34+,35+/m1/s1
C36H41N3O6611.72722100
5139177

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H41N3O6/c1-4-43-34(41)21-37-36(42)38-31-17-15-28(16-18-31)35-44-32(20-33(45-35)27-11-9-25(23-40)10-12-27)22-39(3)24(2)29-14-13-26-7-5-6-8-30(26)19-29/h5-19,24,32-33,35,40H,4,20-23H2,1-3H3,(H2,37,38,42)/t24-,32+,33-,35-/m1/s1
C36H41N3O6611.72722100
5140226

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H41N3O6/c1-4-43-34(41)21-37-36(42)38-31-17-15-28(16-18-31)35-44-32(20-33(45-35)27-11-9-25(23-40)10-12-27)22-39(3)24(2)29-14-13-26-7-5-6-8-30(26)19-29/h5-19,24,32-33,35,40H,4,20-23H2,1-3H3,(H2,37,38,42)/t24-,32-,33+,35+/m1/s1
C36H41N3O6611.72722100
12345

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