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 3 results

Search term: XSRNEJBEOCYPKB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
348066

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H34O9/c1-12-8-16(28)22(31)25(3)15(12)10-17-26-11-34-27(33,24(25)26)21(30)13(2)19(26)20(23(32)35-17)36-18(29)9-14-6-4-5-7-14/h6,8,13,15,17,19-22,24,30-31,33H,4-5,7,9-11H2,1-3H3/t13-,15+,17-,19-,20?,21-,22-,24-,25-,26+,27+/m1/s1
C27H34O9502.55355400
3024195

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C27H34O9/c1-12-8-16(28)22(31)25(3)15(12)10-17-26-11-34-27(33,24(25)26)21(30)13(2)19(26)20(23(32)35-17)36-18(29)9-14-6-4-5-7-14/h6,8,13,15,17,19-22,24,30-31,33H,4-5,7,9-11H2,1-3H3
C27H34O9502.553463200
29420595

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H34O9/c1-12-8-16(28)22(31)25(3)15(12)10-17-26-11-34-27(33,24(25)26)21(30)13(2)19(26)20(23(32)35-17)36-18(29)9-14-6-4-5-7-14/h6,8,13,15,17,19-22,24,30-31,33H,4-5,7,9-11H2,1-3H3/t13-,15-,17-,19-,20?,21-,22+,24+,25-,26+,27+/m1/s1
C27H34O9502.55352200

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