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: KBFPUUYIBBJCDE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2127435

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H13ClN2O4/c18-11-3-5-12(6-4-11)19-14-9-15(21)20(16(14)22)13-7-1-10(2-8-13)17(23)24/h1-8,14,19H,9H2,(H,23,24)
C17H13ClN2O4344.74912241600
609076

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13ClN2O4/c18-11-3-5-12(6-4-11)19-14-9-15(21)20(16(14)22)13-7-1-10(2-8-13)17(23)24/h1-8,14,19H,9H2,(H,23,24)/t14-/m1/s1
C17H13ClN2O4344.74912100
2659262

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H13ClN2O4/c18-11-3-5-12(6-4-11)19-14-9-15(21)20(16(14)22)13-7-1-10(2-8-13)17(23)24/h1-8,14,19H,9H2,(H,23,24)/p-1
C17H12ClN2O4343.74171100
5297848

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13ClN2O4/c18-11-3-5-12(6-4-11)19-14-9-15(21)20(16(14)22)13-7-1-10(2-8-13)17(23)24/h1-8,14,19H,9H2,(H,23,24)/p-1/t14-/m1/s1
C17H12ClN2O4343.741181100

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