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
Additional Filters

Found 6 results

Search term: JJSVXWKQLGHFES (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5140689

7 of 14 defined stereocentres - 7/14 defined
InChI=1/C34H48O13/c1-17-28(46-19(3)37)29(42-5)27(39)30(44-17)47-21-6-9-32(16-35)26-23(7-10-33(32,40)13-21)34(41)11-8-22(20-12-25(38)43-15-20)31(34,4)14-24(26)45-18(2)36/h12,16-17,21-24,26-30,39-41H,6-11,13-15H2,1-5H3/t17?,21-,22+,23?,24+,26?,27?,28?,29?,30?,31+,32-,33-,34-/m0/s1
C34H48O13664.73715300
62497448

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C34H48O13/c1-17-28(46-19(3)37)29(42-5)27(39)30(44-17)47-21-6-9-32(16-35)26-23(7-10-33(32,40)13-21)34(41)11-8-22(20-12-25(38)43-15-20)31(34,4)14-24(26)45-18(2)36/h12,16-17,21-24,26-30,39-41H,6-11,13-15H2,1-5H3/t17-,21+,22-,23-,24-,26-,27+,28+,29-,30+,31-,32+,33+,34+/m1/s1
C34H48O13664.73712200
62497449

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C34H48O13/c1-17-28(46-19(3)37)29(42-5)27(39)30(44-17)47-21-6-9-32(16-35)26-23(7-10-33(32,40)13-21)34(41)11-8-22(20-12-25(38)43-15-20)31(34,4)14-24(26)45-18(2)36/h12,16-17,21-24,26-30,39-41H,6-11,13-15H2,1-5H3/t17-,21+,22-,23-,24-,26-,27+,28-,29-,30+,31-,32+,33+,34+/m1/s1
C34H48O13664.73712200
2687386

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C34H48O13/c1-17-28(46-19(3)37)29(42-5)27(39)30(44-17)47-21-6-9-32(16-35)26-23(7-10-33(32,40)13-21)34(41)11-8-22(20-12-25(38)43-15-20)31(34,4)14-24(26)45-18(2)36/h12,16-17,21-24,26-30,39-41H,6-11,13-15H2,1-5H3
C34H48O13664.7371199999982100
62358664

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C34H48O13/c1-17-28(46-19(3)37)29(42-5)27(39)30(44-17)47-21-6-9-32(16-35)26-23(7-10-33(32,40)13-21)34(41)11-8-22(20-12-25(38)43-15-20)31(34,4)14-24(26)45-18(2)36/h12,16-17,21-24,26-30,39-41H,6-11,13-15H2,1-5H3/t17-,21-,22+,23+,24+,26+,27-,28-,29+,30-,31+,32-,33-,34-/m0/s1
C34H48O13664.73711100
62358665

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C34H48O13/c1-17-28(46-19(3)37)29(42-5)27(39)30(44-17)47-21-6-9-32(16-35)26-23(7-10-33(32,40)13-21)34(41)11-8-22(20-12-25(38)43-15-20)31(34,4)14-24(26)45-18(2)36/h12,16-17,21-24,26-30,39-41H,6-11,13-15H2,1-5H3/t17-,21-,22+,23+,24+,26+,27-,28+,29+,30-,31+,32-,33-,34-/m0/s1
C34H48O13664.73711100

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