phenyl 5-[3-(3,3-dimethyl-4-oxidanylidene-4-phenoxy-butyl)sulfanylpropylsulfanyl]-3,3-dimethyl-pentanoate

Systemtic Name: phenyl 5-[3-(3,3-dimethyl-4-oxidanylidene-4-phenoxy-butyl)sulfanylpropylsulfanyl]-3,3-dimethyl-pentanoate Openeye Name: phenyl 5-[3-(3,3-dimethyl-4-oxo-4-phenoxy-butyl)sulfanylpropylsulfanyl]-3,3-dimethyl-pentanoate CAS Name: 5-[3-[(3,3-dimethyl-4-oxo-4-phenoxybutyl)thio]propylthio]-3,3-dimethylpentanoic acid phenyl ester IUPAC Name: phenyl 5-[3-(3,3-dimethyl-4-oxo-4-phenoxybutyl)sulfanylpropylsulfanyl]-3,3-dimethylpentanoate Traditional Name: 5-[3-[(4-keto-3,3-dimethyl-4-phenoxy-butyl)thio]propylthio]-3,3-dimethyl-valeric acid phenyl ester Formula: C28H38O4S2 MolecularWeight: 502.72892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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