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

Systemtic Name: phenyl 4-[3-(3,3-dimethyl-4-oxidanylidene-4-phenoxy-butyl)sulfanylpropylsulfanyl]-2,2-dimethyl-butanoate Openeye Name: phenyl 4-[3-(3,3-dimethyl-4-oxo-4-phenoxy-butyl)sulfanylpropylsulfanyl]-2,2-dimethyl-butanoate CAS Name: 4-[3-[(3,3-dimethyl-4-oxo-4-phenoxybutyl)thio]propylthio]-2,2-dimethylbutanoic acid phenyl ester IUPAC Name: phenyl 4-[3-(3,3-dimethyl-4-oxo-4-phenoxybutyl)sulfanylpropylsulfanyl]-2,2-dimethylbutanoate Traditional Name: 4-[3-[(4-keto-3,3-dimethyl-4-phenoxy-butyl)thio]propylthio]-2,2-dimethyl-butyric acid phenyl ester Formula: C27H36O4S2 MolecularWeight: 488.70234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36O4S2/c1-26(2,24(28)30-22-12-7-5-8-13-22)16-20-32-18-11-19-33-21-17-27(3,4)25(29)31-23-14-9-6-10-15-23/h5-10,12-15H,11,16-21H2,1-4H3