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 7 results

Search term: WHCOCRPZHNFYOF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
502251

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H15NO3S/c1-2-16-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)15/h3-6,10-11,13H,2,7H2,1H3,(H,14,15)
C12H15NO3S253.3174473400
2104014

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H15NO3S/c1-2-16-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)15/h3-6,10-11,13H,2,7H2,1H3,(H,14,15)/t10-,11?/m0/s1
C12H15NO3S253.317412900
55817395

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H15NO3S/c1-2-16-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)15/h3-6,10-11,13H,2,7H2,1H3,(H,14,15)/t10-,11?/m1/s1
C12H15NO3S253.31742300
605510

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO3S/c1-2-16-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)15/h3-6,10-11,13H,2,7H2,1H3,(H,14,15)/t10-,11+/m1/s1
C12H15NO3S253.31742200
605512

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO3S/c1-2-16-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)15/h3-6,10-11,13H,2,7H2,1H3,(H,14,15)/t10-,11-/m1/s1
C12H15NO3S253.31742200
631611

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO3S/c1-2-16-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)15/h3-6,10-11,13H,2,7H2,1H3,(H,14,15)/t10-,11-/m0/s1
C12H15NO3S253.31742200
631612

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H15NO3S/c1-2-16-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)15/h3-6,10-11,13H,2,7H2,1H3,(H,14,15)/t10-,11+/m0/s1
C12H15NO3S253.31742200

Advertisement