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: XIEXQVKTDOYKIF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
565284

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H25N5/c1-16(2)20(25-13-12-18-10-6-7-11-19(18)15-25)21-22-23-24-26(21)14-17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3
C21H25N5347.456715900
1182985

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25N5/c1-16(2)20(25-13-12-18-10-6-7-11-19(18)15-25)21-22-23-24-26(21)14-17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3/t20-/m0/s1
C21H25N5347.45672100
1182987

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25N5/c1-16(2)20(25-13-12-18-10-6-7-11-19(18)15-25)21-22-23-24-26(21)14-17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3/t20-/m1/s1
C21H25N5347.45672100
5354298

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25N5/c1-16(2)20(25-13-12-18-10-6-7-11-19(18)15-25)21-22-23-24-26(21)14-17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3/p+1/t20-/m0/s1
C21H26N5348.46412200
5354299

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25N5/c1-16(2)20(25-13-12-18-10-6-7-11-19(18)15-25)21-22-23-24-26(21)14-17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3/p+1/t20-/m1/s1
C21H26N5348.46411100

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