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 9 results

Search term: IYMMESGOJVNCKV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
33366

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9-,12+/m1/s1
C12H17NO3223.2683272400
381258

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2
C12H17NO3223.2683191600
24673379

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9-,12+/m0/s1
C12H17NO3223.2683141500
2497278

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9-,12-/m0/s1
C12H17NO3223.26838600
24208044

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9-,12?/m0/s1
C12H17NO3223.26834100
74174649

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9-,12-/m1/s1
C12H17NO3223.26832200
8373898

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9?,12-/m1/s1
C12H17NO3223.26832100
109121094

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9-,12?/m1/s1
C12H17NO3223.26831100

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