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 5 results

Search term: PCLGLSWYMVOCFV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
298529

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H40O10/c1-16-14-22-28(18(3)32(40)42-22)30(34(5)20(16)10-12-24(34)36)44-26(38)8-7-9-27(39)45-31-29-19(4)33(41)43-23(29)15-17(2)21-11-13-25(37)35(21,31)6/h10-13,16-17,20-23,28-31H,3-4,7-9,14-15H2,1-2,5-6H3/t16-,17-,20+,21+,22-,23-,28-,29-,30+,31+,34+,35+/m1/s1
C35H40O10620.68618700
432617

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C35H40O10/c1-16-14-22-28(18(3)32(40)42-22)30(34(5)20(16)10-12-24(34)36)44-26(38)8-7-9-27(39)45-31-29-19(4)33(41)43-23(29)15-17(2)21-11-13-25(37)35(21,31)6/h10-13,16-17,20-23,28-31H,3-4,7-9,14-15H2,1-2,5-6H3
C35H40O10620.68613200
23240367

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C35H40O10/c1-16-14-22-28(18(3)32(40)42-22)30(34(5)20(16)10-12-24(34)36)44-26(38)8-7-9-27(39)45-31-29-19(4)33(41)43-23(29)15-17(2)21-11-13-25(37)35(21,31)6/h10-13,16-17,20-23,28-31H,3-4,7-9,14-15H2,1-2,5-6H3/t16-,17-,20+,21+,22?,23?,28-,29-,30+,31+,34+,35+/m1/s1
C35H40O10620.68612200
29420601

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H40O10/c1-16-14-22-28(18(3)32(40)42-22)30(34(5)20(16)10-12-24(34)36)44-26(38)8-7-9-27(39)45-31-29-19(4)33(41)43-23(29)15-17(2)21-11-13-25(37)35(21,31)6/h10-13,16-17,20-23,28-31H,3-4,7-9,14-15H2,1-2,5-6H3/t16-,17+,20-,21-,22-,23-,28+,29+,30+,31+,34+,35+/m1/s1
C35H40O10620.68612200
58817565

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C35H40O10/c1-16-14-22-28(18(3)32(40)42-22)30(34(5)20(16)10-12-24(34)36)44-26(38)8-7-9-27(39)45-31-29-19(4)33(41)43-23(29)15-17(2)21-11-13-25(37)35(21,31)6/h10-13,16-17,20-23,28-31H,3-4,7-9,14-15H2,1-2,5-6H3/t16-,17-,20+,21+,22-,23-,28-,29-,30+,31+,34?,35?/m1/s1
C35H40O10620.68611100

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