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 4 results

Search term: LAYLXGGTNSMQEK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2269279

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H17NO4/c1-3-20-16(19)15-9(2)14-11(17-15)7-10(8-12(14)18)13-5-4-6-21-13/h4-6,10,17H,3,7-8H2,1-2H3
C16H17NO4287.31048463700
5582420

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H17NO4/c1-3-20-16(19)15-9(2)14-11(17-15)7-10(8-12(14)18)13-5-4-6-21-13/h4-6,10,17H,3,7-8H2,1-2H3/t10-/m0/s1
C16H17NO4287.31052100
5582421

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H17NO4/c1-3-20-16(19)15-9(2)14-11(17-15)7-10(8-12(14)18)13-5-4-6-21-13/h4-6,10,17H,3,7-8H2,1-2H3/t10-/m1/s1
C16H17NO4287.31052100
21471300

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H17NO4/c1-3-20-16(19)15-9(2)14-11(17-15)7-10(8-12(14)18)13-5-4-6-21-13/h4-6,10,17H,3,7-8H2,1-2H3/p+1
C16H18NO4288.31791100

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