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 8 results

Search term: GIYXAJPCNFJEHY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
56589

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H
C17H19ClF3NO345.787069613656915613
7974050

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/t16-;/m1./s1
C17H19ClF3NO345.7871434900
8060267

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/t16-;/m0./s1
C17H19ClF3NO345.7871395000
23936166

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/i2D,3D,4D,5D,6D;
C17H14D5ClF3NO350.8179192000
48061455

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/t16-;/m1./s1/i2D,3D,4D,5D,6D;
C17H14D5ClF3NO350.81798900
58783731

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/t16-;/m0./s1/i2D,3D,4D,5D,6D;
C17H14D5ClF3NO350.81796800
34998244

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/i3D,5D,7D,9D,16D;
C17H14D5ClF3NO350.81794600
129260760

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/i2D,3D,4D,5D,6D,16D;
C17H13D6ClF3NO351.8241500

Advertisement