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: IJASNKPEYJIWPN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2239448

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H13NO5/c1-19-13(18)9-4-2-3-5-10(9)14-7-8(12(16)17)6-11(14)15/h2-5,8H,6-7H2,1H3,(H,16,17)
C13H13NO5263.24602483900
642475

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H13NO5/c1-19-13(18)9-4-2-3-5-10(9)14-7-8(12(16)17)6-11(14)15/h2-5,8H,6-7H2,1H3,(H,16,17)/t8-/m0/s1
C13H13NO5263.2462100
642476

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H13NO5/c1-19-13(18)9-4-2-3-5-10(9)14-7-8(12(16)17)6-11(14)15/h2-5,8H,6-7H2,1H3,(H,16,17)/t8-/m1/s1
C13H13NO5263.2462100
3728326

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H13NO5/c1-19-13(18)9-4-2-3-5-10(9)14-7-8(12(16)17)6-11(14)15/h2-5,8H,6-7H2,1H3,(H,16,17)/p-1
C13H12NO5262.238081100
5304550

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H13NO5/c1-19-13(18)9-4-2-3-5-10(9)14-7-8(12(16)17)6-11(14)15/h2-5,8H,6-7H2,1H3,(H,16,17)/p-1/t8-/m0/s1
C13H12NO5262.238081100
5304551

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H13NO5/c1-19-13(18)9-4-2-3-5-10(9)14-7-8(12(16)17)6-11(14)15/h2-5,8H,6-7H2,1H3,(H,16,17)/p-1/t8-/m1/s1
C13H12NO5262.238081100

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