phenyl 6-[3-(4,4-dimethyl-6-oxidanylidene-6-phenoxy-hexyl)sulfanylpropylsulfanyl]-3,3-dimethyl-hexanoate

Systemtic Name: phenyl 6-[3-(4,4-dimethyl-6-oxidanylidene-6-phenoxy-hexyl)sulfanylpropylsulfanyl]-3,3-dimethyl-hexanoate Openeye Name: phenyl 6-[3-(4,4-dimethyl-6-oxo-6-phenoxy-hexyl)sulfanylpropylsulfanyl]-3,3-dimethyl-hexanoate CAS Name: 6-[3-[(4,4-dimethyl-6-oxo-6-phenoxyhexyl)thio]propylthio]-3,3-dimethylhexanoic acid phenyl ester IUPAC Name: phenyl 6-[3-(4,4-dimethyl-6-oxo-6-phenoxyhexyl)sulfanylpropylsulfanyl]-3,3-dimethylhexanoate Traditional Name: 6-[3-[(6-keto-4,4-dimethyl-6-phenoxy-hexyl)thio]propylthio]-3,3-dimethyl-hexanoic acid phenyl ester Formula: C31H44O4S2 MolecularWeight: 544.80866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44O4S2/c1-30(2,24-28(32)34-26-14-7-5-8-15-26)18-11-20-36-22-13-23-37-21-12-19-31(3,4)25-29(33)35-27-16-9-6-10-17-27/h5-10,14-17H,11-13,18-25H2,1-4H3