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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 12 results

Search term: C40H50O3 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10474857

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H50O3/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)26-39(36,7)8)15-11-12-16-29(2)19-14-20-31(4)38(43)25-37-33(6)24-35(42)27-40(37,9)10/h11-20,24-25,34,41H,23,26-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,37-25+/t34-/m1/s1
C40H50O3578.82324400
17220896

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H50O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-20,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1
C40H50O3578.82324400
35014309

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H50O3/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)26-39(36,7)8)15-11-12-16-29(2)19-14-20-31(4)38(43)25-37-33(6)24-35(42)27-40(37,9)10/h11-20,24-25,34,41H,23,26-27H2,1-10H3/b12-11-,17-13+,19-14+,28-15-,29-16-,30-18-,31-20-,37-25+
C40H50O3578.82324400
16736343

Double-bond stereo
InChI=1/C40H50O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,27,42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+
C40H50O3578.82323301
241788

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C40H50O3/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-32-24-31(27(2)41)22-23-39(32,4)37(34)25-38(40(35,36)5)43-28(3)42/h6-16,18,31-32,34-38H,17,19-25H2,1-5H3
C40H50O3578.82323200
4795277

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C40H50O3/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-32-24-31(27(2)41)22-23-39(32,4)37(34)25-38(40(35,36)5)43-28(3)42/h6-16,18,31-32,34-38H,17,19-25H2,1-5H3/b26-16+
C40H50O3578.82323300
8682841
InChI=1/C40H50O3/c1-24-18-28(37(4,5)6)34(41)31(21-24)40(27-16-14-13-15-17-27,32-22-25(2)19-29(35(32)42)38(7,8)9)33-23-26(3)20-30(36(33)43)39(10,11)12/h13-23,41-43H,1-12H3
C40H50O3578.82322100
59700026

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H50O3/c1-30(20-14-23-33(4)24-15-21-32(3)19-12-13-26-35(6)41)17-10-11-18-31(2)22-16-25-34(5)27-28-37-36(7)39(43)38(42)29-40(37,8)9/h10-28,38,42H,29H2,1-9H3/b11-10+,19-12+,20-14+,22-16+,24-15+,26-13+,28-27+,30-17+,31-18+,32-21+,33-23+,34-25+
C40H50O3578.82322200
34244530

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C40H50O3/c1-5-40(43-25(2)41)23-20-36-34-14-11-27-24-28(12-15-30(27)32(34)19-22-39(36,40)4)42-37-17-16-35-33-13-10-26-8-6-7-9-29(26)31(33)18-21-38(35,37)3/h1,6-9,11,24,30-37H,10,12-23H2,2-4H3/t30-,31+,32+,33+,34+,35-,36-,37-,38-,39-,40-/m0/s1
C40H50O3578.82322200
59700238

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H50O3/c1-28(16-12-18-30(3)20-23-35-24-22-32(5)33(6)36(35)27-41)14-10-11-15-29(2)17-13-19-31(4)21-25-37-34(7)39(43)38(42)26-40(37,8)9/h10-25,38,41-42H,26-27H2,1-9H3/b11-10+,16-12+,17-13+,23-20+,25-21+,28-14+,29-15+,30-18+,31-19+
C40H50O3578.82322200
59700258

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H50O3/c1-28(17-13-18-30(3)21-23-35-24-22-31(4)33(6)34(35)7)15-11-12-16-29(2)19-14-20-32(5)37(42)25-38(43)40(10)27-36(41)26-39(40,8)9/h11-20,22,24-25,36,41-42H,26-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,32-20+,37-25-
C40H50O3578.82321100
59700127

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H50O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-20,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,28-15+,29-16+,30-19+,31-20+
C40H50O3578.82321100

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