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: CMZHQFXXAAIBKE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
106763

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
C17H19N3O4S361.41555763741
34991697

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)/t25-/m1/s1
C17H19N3O4S361.41554500
94269865

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)/i2D3
C17H16D3N3O4S364.43394300
48059945

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)/i3D3
C17H16D3N3O4S364.43393200
110404583

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)/i4D,5D,6D
C17H16D3N3O4S364.43392200
107443371

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)/t25-/m0/s1
C17H19N3O4S361.41551300

Advertisement