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: KCAIYJDHLVYANU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
168852

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H12N2O4/c9-5(8(12)13)1-4-3-10-6(11)2-7(10)14-4/h4-5,7H,1-3,9H2,(H,12,13)/t4-,5-,7-/m0/s1
C8H12N2O4200.191913900
8373606

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C8H12N2O4/c9-5(8(12)13)1-4-3-10-6(11)2-7(10)14-4/h4-5,7H,1-3,9H2,(H,12,13)/t4?,5-,7?/m0/s1
C8H12N2O4200.19195500
14053571

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C8H12N2O4/c9-5(8(12)13)1-4-3-10-6(11)2-7(10)14-4/h4-5,7H,1-3,9H2,(H,12,13)
C8H12N2O4200.19192200
8257026

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H12N2O4/c9-5(8(12)13)1-4-3-10-6(11)2-7(10)14-4/h4-5,7H,1-3,9H2,(H,12,13)/t4?,5-,7-/m0/s1
C8H12N2O4200.19192100
75142117

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C8H12N2O4/c9-5(8(12)13)1-4-3-10-6(11)2-7(10)14-4/h4-5,7H,1-3,9H2,(H,12,13)/t4?,5-,7?/m1/s1
C8H12N2O4200.19191100

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