(phenylmethyl) 4-(3-tert-butylsulfanyl-1-oxidanyl-3-oxidanylidene-propyl)benzoate

Systemtic Name: (phenylmethyl) 4-(3-tert-butylsulfanyl-1-oxidanyl-3-oxidanylidene-propyl)benzoate Openeye Name: benzyl 4-(3-tert-butylsulfanyl-1-hydroxy-3-oxo-propyl)benzoate CAS Name: 4-[3-(tert-butylthio)-1-hydroxy-3-oxopropyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-tert-butylsulfanyl-1-hydroxy-3-oxopropyl)benzoate Traditional Name: 4-[3-(tert-butylthio)-1-hydroxy-3-keto-propyl]benzoic acid benzyl ester Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)SC(=O)CC(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H24O4S/c1-21(2,3)26-19(23)13-18(22)16-9-11-17(12-10-16)20(24)25-14-15-7-5-4-6-8-15/h4-12,18,22H,13-14H2,1-3H3