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 6 results

Search term: BUPDPLXLAKNJMI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2016237

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
C10H17NO4215.2463825500
4338797

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)
C10H17NO4215.24628757500
554205

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
C10H17NO4215.2463643800
554204

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/p-1/t7-/m1/s1
C10H16NO4214.23892200
5372721

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/p-1/t7-/m0/s1
C10H16NO4214.23891100

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