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: WQKDGRLVQXNEBZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
169587

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H17N12O16P3/c18-13-10-14(22-5-21-13)28(17(23-10)25-27-20)15-11(30)12(43-16(31)7-3-6(24-26-19)1-2-8(7)29(32)33)9(42-15)4-41-47(37,38)45-48(39,40)44-46(34,35)36/h1-3,5,9,11-12,15,30H,4H2,(H,37,38)(H,39,40)(H2,18,21,22)(H2,34,35,36)/t9-,11-,12-,15-/m1/s1
C17H17N12O16P3738.3098600
95641337

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H17N12O16P3/c18-13-10-14(22-5-21-13)28(17(23-10)25-27-20)15-11(30)12(43-16(31)7-3-6(24-26-19)1-2-8(7)29(32)33)9(42-15)4-41-47(37,38)45-48(39,40)44-46(34,35)36/h1-3,5,9,11-12,15,30H,4H2,(H,37,38)(H,39,40)(H2,18,21,22)(H2,34,35,36)
C17H17N12O16P3738.3092200

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