(phenylmethyl) 6-[3-(4,4-dimethyl-6-oxidanylidene-6-phenylmethoxy-hexyl)sulfanylpropylsulfanyl]-3,3-dimethyl-hexanoate

Systemtic Name: (phenylmethyl) 6-[3-(4,4-dimethyl-6-oxidanylidene-6-phenylmethoxy-hexyl)sulfanylpropylsulfanyl]-3,3-dimethyl-hexanoate Openeye Name: benzyl 6-[3-(6-benzyloxy-4,4-dimethyl-6-oxo-hexyl)sulfanylpropylsulfanyl]-3,3-dimethyl-hexanoate CAS Name: 6-[3-[(4,4-dimethyl-6-oxo-6-phenylmethoxyhexyl)thio]propylthio]-3,3-dimethylhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[3-(4,4-dimethyl-6-oxo-6-phenylmethoxyhexyl)sulfanylpropylsulfanyl]-3,3-dimethylhexanoate Traditional Name: 6-[3-[(6-benzoxy-6-keto-4,4-dimethyl-hexyl)thio]propylthio]-3,3-dimethyl-hexanoic acid benzyl ester Formula: C33H48O4S2 MolecularWeight: 572.86182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48O4S2/c1-32(2,24-30(34)36-26-28-14-7-5-8-15-28)18-11-20-38-22-13-23-39-21-12-19-33(3,4)25-31(35)37-27-29-16-9-6-10-17-29/h5-10,14-17H,11-13,18-27H2,1-4H3