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: XIEZJSPLHXEHSK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
427373

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H21NO3/c1-21-14-5-3-12(4-6-14)9-16-15-11-17(20)18(22-2)10-13(15)7-8-19-16/h3-6,10-11,16,19-20H,7-9H2,1-2H3
C18H21NO3299.36428900
8600258

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H21NO3/c1-21-14-5-3-12(4-6-14)9-16-15-11-17(20)18(22-2)10-13(15)7-8-19-16/h3-6,10-11,16,19-20H,7-9H2,1-2H3/t16-/m1/s1
C18H21NO3299.36422100
21432760

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H21NO3/c1-21-14-5-3-12(4-6-14)9-16-15-11-17(20)18(22-2)10-13(15)7-8-19-16/h3-6,10-11,16,19-20H,7-9H2,1-2H3/p+1
C18H22NO3300.37162200
24605112

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H21NO3/c1-21-14-5-3-12(4-6-14)9-16-15-11-17(20)18(22-2)10-13(15)7-8-19-16/h3-6,10-11,16,19-20H,7-9H2,1-2H3/t16-/m0/s1
C18H21NO3299.36421100

Advertisement