phenyl 4-[2-(3,3-dimethyl-4-oxidanylidene-4-phenoxy-butyl)sulfanylethylsulfanyl]-2,2-dimethyl-butanoate

Systemtic Name: phenyl 4-[2-(3,3-dimethyl-4-oxidanylidene-4-phenoxy-butyl)sulfanylethylsulfanyl]-2,2-dimethyl-butanoate Openeye Name: phenyl 4-[2-(3,3-dimethyl-4-oxo-4-phenoxy-butyl)sulfanylethylsulfanyl]-2,2-dimethyl-butanoate CAS Name: 4-[2-[(3,3-dimethyl-4-oxo-4-phenoxybutyl)thio]ethylthio]-2,2-dimethylbutanoic acid phenyl ester IUPAC Name: phenyl 4-[2-(3,3-dimethyl-4-oxo-4-phenoxybutyl)sulfanylethylsulfanyl]-2,2-dimethylbutanoate Traditional Name: 4-[2-[(4-keto-3,3-dimethyl-4-phenoxy-butyl)thio]ethylthio]-2,2-dimethyl-butyric acid phenyl ester Formula: C26H34O4S2 MolecularWeight: 474.67576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSCCSCCC(C)(C)C(=O)OC1=CC=CC=C1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(CCSCCSCCC(C)(C)C(=O)OC1=CC=CC=C1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C26H34O4S2/c1-25(2,23(27)29-21-11-7-5-8-12-21)15-17-31-19-20-32-18-16-26(3,4)24(28)30-22-13-9-6-10-14-22/h5-14H,15-20H2,1-4H3