(phenylmethyl) 4-[2-(3,3-dimethyl-4-oxidanylidene-4-phenylmethoxy-butyl)sulfanylethylsulfanyl]-2,2-dimethyl-butanoate

Systemtic Name: (phenylmethyl) 4-[2-(3,3-dimethyl-4-oxidanylidene-4-phenylmethoxy-butyl)sulfanylethylsulfanyl]-2,2-dimethyl-butanoate Openeye Name: benzyl 4-[2-(4-benzyloxy-3,3-dimethyl-4-oxo-butyl)sulfanylethylsulfanyl]-2,2-dimethyl-butanoate CAS Name: 4-[2-[(3,3-dimethyl-4-oxo-4-phenylmethoxybutyl)thio]ethylthio]-2,2-dimethylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(3,3-dimethyl-4-oxo-4-phenylmethoxybutyl)sulfanylethylsulfanyl]-2,2-dimethylbutanoate Traditional Name: 4-[2-[(4-benzoxy-4-keto-3,3-dimethyl-butyl)thio]ethylthio]-2,2-dimethyl-butyric acid benzyl ester Formula: C28H38O4S2 MolecularWeight: 502.72892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSCCSCCC(C)(C)C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(CCSCCSCCC(C)(C)C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H38O4S2/c1-27(2,25(29)31-21-23-11-7-5-8-12-23)15-17-33-19-20-34-18-16-28(3,4)26(30)32-22-24-13-9-6-10-14-24/h5-14H,15-22H2,1-4H3