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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 6 results

Search term: C42H48O11 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8592914

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C42H48O11/c1-24-31-22-42(40(6,7)48)23-33(49-26(3)43)25(2)36(42)37(53-39(47)30-17-13-10-14-18-30)38(51-28(5)45)41(31,8)34(50-27(4)44)21-32(24)52-35(46)20-19-29-15-11-9-12-16-29/h9-20,31-34,37-38,48H,1,21-23H2,2-8H3/b20-19+/t31-,32+,33+,34+,37-,38+,41+,42+/m1/s1
C42H48O11728.82394300
13081279

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C42H48O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,41-42H,1-10H3/t23-,24-,25-,26-,41+,42+/m1/s1
C42H48O11728.82393300
9574816

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C42H48O11/c1-45-32-20-16-28(17-21-32)25-49-40-38(53-42(44)30-11-5-4-6-12-30)36(43)37(52-35-15-9-10-24-48-35)39(51-27-31-13-7-8-14-34(31)47-3)41(40)50-26-29-18-22-33(46-2)23-19-29/h4-8,11-14,16-23,35-41,43H,9-10,15,24-27H2,1-3H3/t35?,36-,37+,38-,39-,40+,41+/m0/s1
C42H48O11728.82392100
9597604

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C42H48O11/c1-24-31-22-42(40(6,7)48)23-33(52-35(46)20-19-29-15-11-9-12-16-29)25(2)36(42)37(53-39(47)30-17-13-10-14-18-30)38(51-28(5)45)41(31,8)34(50-27(4)44)21-32(24)49-26(3)43/h9-20,31-34,37-38,48H,1,21-23H2,2-8H3/b20-19+/t31-,32+,33+,34+,37-,38+,41+,42+/m1/s1
C42H48O11728.82392100
4479411

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C42H48O11/c1-24-31-22-42(40(6,7)48)23-33(49-26(3)43)25(2)36(42)37(53-39(47)30-17-13-10-14-18-30)38(51-28(5)45)41(31,8)34(50-27(4)44)21-32(24)52-35(46)20-19-29-15-11-9-12-16-29/h9-20,31-34,37-38,48H,1,21-23H2,2-8H3/b20-19+/t31-,32+,33?,34+,37-,38+,41+,42+/m1/s1
C42H48O11728.82392200
32766322

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C42H48O11/c1-25(7-10-35(43)40(3,4)45)14-19-49-39-28-13-18-42(51-34(28)24-32-30(39)17-22-47-32)52-36(41(5,6)53-42)11-8-26(2)15-20-48-38-27-9-12-37(44)50-33(27)23-31-29(38)16-21-46-31/h9,12-16,18,21,23-24,35-36,43,45H,7-8,10-11,17,19-20,22H2,1-6H3/b25-14+,26-15+
C42H48O11728.82391100

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