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 2 results

Search term: QPGVBFHVYONDKH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8458465

13 of 17 defined stereocentres - 13/17 defined
InChI=1/C34H44O12/c1-12-9-20-33(7,34(8,41)30(40)46-20)24-22(12)32(6)19(42-13(2)35)11-16-21(23(32)28(24)43-14(3)36)26(39)25(38)17-10-18-27(45-18)29(31(16,17)5)44-15(4)37/h9,12,16-19,21-24,26-29,39,41H,10-11H2,1-8H3/t12-,16?,17?,18+,19+,21-,22?,23?,24+,26-,27+,28-,29+,31-,32-,33+,34-/m1/s1
C34H44O12644.7062100
26619292

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C34H44O12/c1-12-9-20-33(7,34(8,41)30(40)46-20)24-22(12)32(6)19(42-13(2)35)11-16-21(23(32)28(24)43-14(3)36)26(39)25(38)17-10-18-27(45-18)29(31(16,17)5)44-15(4)37/h9,12,16-19,21-24,26-29,39,41H,10-11H2,1-8H3/t12-,16+,17-,18+,19+,21-,22+,23-,24+,26-,27+,28-,29+,31-,32-,33+,34-/m1/s1
C34H44O12644.7062200

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