(phenylmethyl) 5-[3-(3,3-dimethyl-4-oxidanylidene-4-phenylmethoxy-butyl)sulfanylpropylsulfanyl]-3,3-dimethyl-pentanoate

Systemtic Name: (phenylmethyl) 5-[3-(3,3-dimethyl-4-oxidanylidene-4-phenylmethoxy-butyl)sulfanylpropylsulfanyl]-3,3-dimethyl-pentanoate Openeye Name: benzyl 5-[3-(4-benzyloxy-3,3-dimethyl-4-oxo-butyl)sulfanylpropylsulfanyl]-3,3-dimethyl-pentanoate CAS Name: 5-[3-[(3,3-dimethyl-4-oxo-4-phenylmethoxybutyl)thio]propylthio]-3,3-dimethylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[3-(3,3-dimethyl-4-oxo-4-phenylmethoxybutyl)sulfanylpropylsulfanyl]-3,3-dimethylpentanoate Traditional Name: 5-[3-[(4-benzoxy-4-keto-3,3-dimethyl-butyl)thio]propylthio]-3,3-dimethyl-valeric acid benzyl ester Formula: C30H42O4S2 MolecularWeight: 530.78208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42O4S2/c1-29(2,22-27(31)33-23-25-12-7-5-8-13-25)16-20-35-18-11-19-36-21-17-30(3,4)28(32)34-24-26-14-9-6-10-15-26/h5-10,12-15H,11,16-24H2,1-4H3