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: NAFSCPUMIXHGQP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5289652

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17N3O3S/c1-13-7-9-15(10-8-13)24(22,23)20-16(17(21)12-19-18)11-14-5-3-2-4-6-14/h2-10,12,16,20H,11H2,1H3/p+1/b17-12-/t16-/m0/s1
C17H18N3O3S344.408123200
10243857

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H17N3O3S/c1-13-7-9-15(10-8-13)24(22,23)20-16(17(21)12-19-18)11-14-5-3-2-4-6-14/h2-10,12,16,20H,11H2,1H3
C17H17N3O3S343.40023300
20130252

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17N3O3S/c1-13-7-9-15(10-8-13)24(22,23)20-16(17(21)12-19-18)11-14-5-3-2-4-6-14/h2-10,12,16,20H,11H2,1H3/t16-/m0/s1
C17H17N3O3S343.40022200
4590909

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17N3O3S/c1-13-7-9-15(10-8-13)24(22,23)20-16(17(21)12-19-18)11-14-5-3-2-4-6-14/h2-10,12,16,20H,11H2,1H3/b17-12-/t16-/m0/s1
C17H17N3O3S343.40021100

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