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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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Single/Multi-component
Isotopically Labeled
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Found 11 results

Search term: C35H47FN4O2 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4587135

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H47FN4O2/c1-5-40-33(21-30(37-40)18-25-10-7-6-8-11-25)26-14-16-39(17-15-26)23-28-20-31(38(4)34(24(2)3)35(41)42)22-32(28)27-12-9-13-29(36)19-27/h6-13,19,21,24,26,28,31-32,34H,5,14-18,20,22-23H2,1-4H3,(H,41,42)/t28-,31+,32-,34-/m1/s1
C35H47FN4O2574.7717141500
450370

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H47FN4O2/c1-5-25(4)34(35(41)42)39-22-29(32(23-39)28-8-7-9-30(36)19-28)21-38-16-14-27(15-17-38)33-20-31(37-40(33)6-2)18-26-12-10-24(3)11-13-26/h7-13,19-20,25,27,29,32,34H,5-6,14-18,21-23H2,1-4H3,(H,41,42)/t25-,29-,32+,34+/m0/s1
C35H47FN4O2574.77175500
450428

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H47FN4O2/c1-6-40-32(20-30(37-40)18-25-12-10-24(2)11-13-25)26-14-16-38(17-15-26)21-28-22-39(33(34(41)42)35(3,4)5)23-31(28)27-8-7-9-29(36)19-27/h7-13,19-20,26,28,31,33H,6,14-18,21-23H2,1-5H3,(H,41,42)/t28-,31+,33-/m0/s1
C35H47FN4O2574.77175500
450502

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H47FN4O2/c1-4-26(5-2)34(35(41)42)39-23-29(32(24-39)28-13-10-14-30(36)20-28)22-38-17-15-27(16-18-38)33-21-31(37-40(33)6-3)19-25-11-8-7-9-12-25/h7-14,20-21,26-27,29,32,34H,4-6,15-19,22-24H2,1-3H3,(H,41,42)/t29-,32+,34+/m0/s1
C35H47FN4O2574.77175500
28476936

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C35H47FN4O2/c1-5-40-32(23-30(37-40)21-26-11-7-6-8-12-26)27-15-19-39(20-16-27)24-28-13-14-29(22-31(28)36)35(17-9-10-18-35)38(4)33(25(2)3)34(41)42/h6-8,11-14,22-23,25,27,33H,5,9-10,15-21,24H2,1-4H3,(H,41,42)/t33-/m1/s1
C35H47FN4O2574.77172200
8591169

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H47FN4O2/c1-3-5-7-15-33(35(41)42)39-24-29(32(25-39)28-13-10-14-30(36)21-28)23-38-18-16-27(17-19-38)34-22-31(37-40(34)4-2)20-26-11-8-6-9-12-26/h6,8-14,21-22,27,29,32-33H,3-5,7,15-20,23-25H2,1-2H3,(H,41,42)/t29-,32+,33+/m0/s1
C35H47FN4O2574.77172100
9170616

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C35H47FN4O2/c1-5-40-33(20-31(37-40)18-26-10-7-6-8-11-26)27-14-16-38(17-15-27)21-29-22-39(24-35(4,25(2)3)34(41)42)23-32(29)28-12-9-13-30(36)19-28/h6-13,19-20,25,27,29,32H,5,14-18,21-24H2,1-4H3,(H,41,42)/t29-,32+,35?/m0/s1
C35H47FN4O2574.77172100
9310712

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C35H47FN4O2/c1-4-35(5-2,34(41)42)25-39-23-29(32(24-39)28-13-10-14-30(36)20-28)22-38-17-15-27(16-18-38)33-21-31(37-40(33)6-3)19-26-11-8-7-9-12-26/h7-14,20-21,27,29,32H,4-6,15-19,22-25H2,1-3H3,(H,41,42)/t29-,32+/m0/s1
C35H47FN4O2574.77172100
447471

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C35H47FN4O2/c1-4-16-35(3,34(41)42)25-39-23-29(32(24-39)28-12-9-13-30(36)20-28)22-38-17-14-27(15-18-38)33-21-31(37-40(33)5-2)19-26-10-7-6-8-11-26/h6-13,20-21,27,29,32H,4-5,14-19,22-25H2,1-3H3,(H,41,42)/t29-,32+,35?/m0/s1
C35H47FN4O2574.77172200
18956596

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C35H47FN4O2/c1-5-40-33(21-30(37-40)18-25-10-7-6-8-11-25)26-14-16-39(17-15-26)23-28-20-31(38(4)34(24(2)3)35(41)42)22-32(28)27-12-9-13-29(36)19-27/h6-13,19,21,24,26,28,31-32,34H,5,14-18,20,22-23H2,1-4H3,(H,41,42)
C35H47FN4O2574.77171100
90654132

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H47FN4O2/c1-5-40-33(21-30(37-40)18-25-10-7-6-8-11-25)26-14-16-39(17-15-26)23-28-20-31(38(4)34(24(2)3)35(41)42)22-32(28)27-12-9-13-29(36)19-27/h6-13,19,21,24,26,28,31-32,34H,5,14-18,20,22-23H2,1-4H3,(H,41,42)/t28-,31+,32-,34-/m0/s1
C35H47FN4O2574.77171100

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