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 5 results

Search term: PHLFNHVHYKBKEN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2949875

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17NO6/c1-11(22)16-17(12-5-9-15(27-2)10-6-12)21(19(24)18(16)23)14-7-3-13(4-8-14)20(25)26/h3-10,17,23H,1-2H3,(H,25,26)
C20H17NO6367.3520816900
1182039

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO6/c1-11(22)16-17(12-5-9-15(27-2)10-6-12)21(19(24)18(16)23)14-7-3-13(4-8-14)20(25)26/h3-10,17,23H,1-2H3,(H,25,26)/t17-/m0/s1
C20H17NO6367.35212100
1182040

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO6/c1-11(22)16-17(12-5-9-15(27-2)10-6-12)21(19(24)18(16)23)14-7-3-13(4-8-14)20(25)26/h3-10,17,23H,1-2H3,(H,25,26)/t17-/m1/s1
C20H17NO6367.35212100
5423056

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO6/c1-11(22)16-17(12-5-9-15(27-2)10-6-12)21(19(24)18(16)23)14-7-3-13(4-8-14)20(25)26/h3-10,17,23H,1-2H3,(H,25,26)/p-1/t17-/m0/s1
C20H16NO6366.34471100
5423057

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO6/c1-11(22)16-17(12-5-9-15(27-2)10-6-12)21(19(24)18(16)23)14-7-3-13(4-8-14)20(25)26/h3-10,17,23H,1-2H3,(H,25,26)/p-1/t17-/m1/s1
C20H16NO6366.34471100

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