8,8-dimethoxyoctan-2-yl 2-[bis(phenylsulfanyl)methyl]-4,6-dimethoxy-benzoate

Systemtic Name: 8,8-dimethoxyoctan-2-yl 2-[bis(phenylsulfanyl)methyl]-4,6-dimethoxy-benzoate Openeye Name: (7,7-dimethoxy-1-methyl-heptyl) 2-[bis(phenylsulfanyl)methyl]-4,6-dimethoxy-benzoate CAS Name: 2-[bis(phenylthio)methyl]-4,6-dimethoxybenzoic acid 8,8-dimethoxyoctan-2-yl ester IUPAC Name: 8,8-dimethoxyoctan-2-yl 2-[bis(phenylsulfanyl)methyl]-4,6-dimethoxybenzoate Traditional Name: 2-[bis(phenylthio)methyl]-4,6-dimethoxy-benzoic acid (7,7-dimethoxy-1-methyl-heptyl) ester Formula: C32H40O6S2 MolecularWeight: 584.7864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC(OC)OC)OC(=O)C1=C(C=C(C=C1C(SC2=CC=CC=C2)SC3=CC=CC=C3)OC)OC

Isomeric SMILES

CC(CCCCCC(OC)OC)OC(=O)C1=C(C=C(C=C1C(SC2=CC=CC=C2)SC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C32H40O6S2/c1-23(15-9-6-14-20-29(36-4)37-5)38-31(33)30-27(21-24(34-2)22-28(30)35-3)32(39-25-16-10-7-11-17-25)40-26-18-12-8-13-19-26/h7-8,10-13,16-19,21-23,29,32H,6,9,14-15,20H2,1-5H3