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
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Single/Multi-component
Isotopically Labeled
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Found 2 results

Search term: MPSWGRVJTSJXFK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21171567

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4.ClH/c10-5-1-2-12-7-6(15-9(12)11-5)4(3-13)8(14)16-7;/h1-2,4,6-8,10,13-14H,3H2;1H/t4-,6+,7-,8-;/m1./s1
C9H12ClN3O4261.66236400
17346331

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H11N3O4.ClH/c10-5-1-2-12-7-6(15-9(12)11-5)4(3-13)8(14)16-7;/h1-2,4,6-8,10,13-14H,3H2;1H/b10-5+;/t4-,6+,7-,8-;/m1./s1
C9H12ClN3O4261.66231100

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