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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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Isotopically Labeled
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Found 14 results

Search term: C40H62O6 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58400
InChI=1/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3
C40H62O6638.9167475000
410744

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C40H62O6/c1-23(2)24-13-18-39(30(41)42)21-19-36(8)25(29(24)39)11-12-27-35(7)16-15-28(33(3,4)26(35)14-17-37(27,36)9)45-32(44)40-22-20-38(10,31(43)46-40)34(40,5)6/h23-29H,11-22H2,1-10H3,(H,41,42)/t24-,25+,26-,27+,28-,29+,35-,36+,37+,38?,39-,40?/m0/s1
C40H62O6638.91674400
9631283

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H62O6/c1-3-5-13-31-17-21-33(22-18-31)43-29-11-7-9-15-35(41)37-25-27-39(45-37)40-28-26-38(46-40)36(42)16-10-8-12-30-44-34-23-19-32(20-24-34)14-6-4-2/h17-24,35-42H,3-16,25-30H2,1-2H3/t35-,36-,37-,38-,39-,40-/m1/s1
C40H62O6638.91674300
24680464

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C40H62O6/c1-25(2)28-16-21-40(24-45-33(43)14-10-26(3)41)23-22-38(8)29(35(28)40)12-13-31-37(7)19-18-32(46-34(44)15-11-27(4)42)36(5,6)30(37)17-20-39(31,38)9/h28-32,35H,1,10-24H2,2-9H3/t28-,29+,30-,31+,32-,35+,37-,38+,39+,40+/m0/s1
C40H62O6638.91672200
24826897

Double-bond stereo
InChI=1/C40H62O6/c1-6-11-16-27-42-34-22-24-36(43-28-17-12-7-2)33(32-34)21-23-35(41)39-37(44-29-18-13-8-3)25-26-38(45-30-19-14-9-4)40(39)46-31-20-15-10-5/h21-26,32H,6-20,27-31H2,1-5H3
C40H62O6638.91671100
24826902

Double-bond stereo
InChI=1/C40H62O6/c1-6-11-16-25-42-34-22-24-38(44-27-18-13-8-3)33(30-34)21-23-37(41)36-31-35(43-26-17-12-7-2)32-39(45-28-19-14-9-4)40(36)46-29-20-15-10-5/h21-24,30-32H,6-20,25-29H2,1-5H3
C40H62O6638.91671100
24826959

Double-bond stereo
InChI=1/C40H62O6/c1-6-10-14-18-27-43-34-31-33(39(38(32-34)42-5)45-29-20-16-12-8-3)25-26-36(41)35-23-22-24-37(44-28-19-15-11-7-2)40(35)46-30-21-17-13-9-4/h22-26,31-32H,6-21,27-30H2,1-5H3
C40H62O6638.91671100
24830267

Double-bond stereo
InChI=1/C40H62O6/c1-6-11-19-26-42-35(31-33-24-17-16-18-25-33)37(41)34-32-36(43-27-20-12-7-2)39(45-29-22-14-9-4)40(46-30-23-15-10-5)38(34)44-28-21-13-8-3/h16-18,24-25,31-32H,6-15,19-23,26-30H2,1-5H3/b35-31-
C40H62O6638.91671100
65793973

Double-bond stereo
InChI=1/C40H62O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(39(41)42)45-46-38(40(43)44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h23-36H,3-22H2,1-2H3,(H,41,42)(H,43,44)/b25-23+,26-24+,29-27u,30-28u,33-31u,34-32u,37-35u,38-36u
C40H62O6638.91671100
95703446

Double-bond stereo
InChI=1/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h19-20,23-26,41-44H,13-18,21-22H2,1-12H3
C40H62O6638.91671100
17263008

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H62O6/c1-3-5-13-31-17-21-33(22-18-31)43-29-11-7-9-15-35(41)37-25-27-39(45-37)40-28-26-38(46-40)36(42)16-10-8-12-30-44-34-23-19-32(20-24-34)14-6-4-2/h17-24,35-42H,3-16,25-30H2,1-2H3/t35-,36+,37+,38-,39-,40+
C40H62O6638.91671100
17263009

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H62O6/c1-3-5-13-31-17-21-33(22-18-31)43-29-11-7-9-15-35(41)37-25-27-39(45-37)40-28-26-38(46-40)36(42)16-10-8-12-30-44-34-23-19-32(20-24-34)14-6-4-2/h17-24,35-42H,3-16,25-30H2,1-2H3/t35-,36-,37-,38-,39+,40+/m1/s1
C40H62O6638.91671100
17263014

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H62O6/c1-3-5-13-31-17-21-33(22-18-31)43-29-11-7-9-15-35(41)37-25-27-39(45-37)40-28-26-38(46-40)36(42)16-10-8-12-30-44-34-23-19-32(20-24-34)14-6-4-2/h17-24,35-42H,3-16,25-30H2,1-2H3/t35-,36+,37-,38+,39+,40-
C40H62O6638.91671100
17263015

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H62O6/c1-3-5-13-31-17-21-33(22-18-31)43-29-11-7-9-15-35(41)37-25-27-39(45-37)40-28-26-38(46-40)36(42)16-10-8-12-30-44-34-23-19-32(20-24-34)14-6-4-2/h17-24,35-42H,3-16,25-30H2,1-2H3/t35-,36-,37-,38-,39-,40-/m0/s1
C40H62O6638.91671100

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