[4-(3-tert-butylsulfanyl-1-oxidanyl-3-oxidanylidene-propyl)phenyl]methyl ethanoate

Systemtic Name: [4-(3-tert-butylsulfanyl-1-oxidanyl-3-oxidanylidene-propyl)phenyl]methyl ethanoate Openeye Name: [4-(3-tert-butylsulfanyl-1-hydroxy-3-oxo-propyl)phenyl]methyl acetate CAS Name: acetic acid [4-[3-(tert-butylthio)-1-hydroxy-3-oxopropyl]phenyl]methyl ester IUPAC Name: [4-(3-tert-butylsulfanyl-1-hydroxy-3-oxopropyl)phenyl]methyl acetate Traditional Name: acetic acid [4-[3-(tert-butylthio)-1-hydroxy-3-keto-propyl]benzyl] ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(C=C1)C(CC(=O)SC(C)(C)C)O

Isomeric SMILES

CC(=O)OCC1=CC=C(C=C1)C(CC(=O)SC(C)(C)C)O

InChI

InChI=1S/C16H22O4S/c1-11(17)20-10-12-5-7-13(8-6-12)14(18)9-15(19)21-16(2,3)4/h5-8,14,18H,9-10H2,1-4H3