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: JGYFFTQRRDPOIR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2019052

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H19NO4/c19-15(20)17-8-11-5-12(9-17)7-16(6-11,10-17)13-1-3-14(4-2-13)18(21)22/h1-4,11-12H,5-10H2,(H,19,20)
C17H19NO4301.33706563701
29367750

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H19NO4/c19-15(20)17-8-11-5-12(9-17)7-16(6-11,10-17)13-1-3-14(4-2-13)18(21)22/h1-4,11-12H,5-10H2,(H,19,20)/t11-,12+,16+,17-
C17H19NO4301.33716500
612832

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H19NO4/c19-15(20)17-8-11-5-12(9-17)7-16(6-11,10-17)13-1-3-14(4-2-13)18(21)22/h1-4,11-12H,5-10H2,(H,19,20)/t11-,12+,16?,17?
C17H19NO4301.33713100
3605552

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H19NO4/c19-15(20)17-8-11-5-12(9-17)7-16(6-11,10-17)13-1-3-14(4-2-13)18(21)22/h1-4,11-12H,5-10H2,(H,19,20)/p-1
C17H18NO4300.329121100
5298444

Charge

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H19NO4/c19-15(20)17-8-11-5-12(9-17)7-16(6-11,10-17)13-1-3-14(4-2-13)18(21)22/h1-4,11-12H,5-10H2,(H,19,20)/p-1/t11-,12+,16?,17?
C17H18NO4300.329121100

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