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
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Found 2 results

Search term: XGPNOHXLVFPQBI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
168955

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C24H35N5O4/c1-15(2)20(27-18-10-6-12-26-21(18)30)23(32)28-22(31)19-11-7-13-29(19)24(33)17(25)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-20,27H,6-7,10-14,25H2,1-2H3,(H,26,30)(H,28,31,32)/t17-,18?,19+,20+/m1/s1
C24H35N5O4457.56587600
68026911

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C24H35N5O4/c1-15(2)20(27-18-10-6-12-26-21(18)30)23(32)28-22(31)19-11-7-13-29(19)24(33)17(25)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-20,27H,6-7,10-14,25H2,1-2H3,(H,26,30)(H,28,31,32)/t17-,18?,19?,20-/m1/s1
C24H35N5O4457.56581100

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