methyl 4-(3-oxidanylidenebutylsulfanyl)benzoate

Systemtic Name: methyl 4-(3-oxidanylidenebutylsulfanyl)benzoate Openeye Name: methyl 4-(3-oxobutylsulfanyl)benzoate CAS Name: 4-(3-oxobutylthio)benzoic acid methyl ester IUPAC Name: methyl 4-(3-oxobutylsulfanyl)benzoate Traditional Name: 4-(3-ketobutylthio)benzoic acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(=O)CCSC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C12H14O3S/c1-9(13)7-8-16-11-5-3-10(4-6-11)12(14)15-2/h3-6H,7-8H2,1-2H3