methyl 2,4-dimethoxy-6-[1-(4-methylphenyl)sulfanyl-5-(4-methylphenyl)sulfonyl-pentyl]benzoate

Systemtic Name: methyl 2,4-dimethoxy-6-[1-(4-methylphenyl)sulfanyl-5-(4-methylphenyl)sulfonyl-pentyl]benzoate Openeye Name: methyl 2,4-dimethoxy-6-[1-(p-tolylsulfanyl)-5-(p-tolylsulfonyl)pentyl]benzoate CAS Name: 2,4-dimethoxy-6-[5-(4-methylphenyl)sulfonyl-1-[(4-methylphenyl)thio]pentyl]benzoic acid methyl ester IUPAC Name: methyl 2,4-dimethoxy-6-[1-(4-methylphenyl)sulfanyl-5-(4-methylphenyl)sulfonylpentyl]benzoate Traditional Name: 2,4-dimethoxy-6-[1-(p-tolylthio)-5-tosyl-pentyl]benzoic acid methyl ester Formula: C29H34O6S2 MolecularWeight: 542.70666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCS(=O)(=O)C2=CC=C(C=C2)C)C3=CC(=CC(=C3C(=O)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCS(=O)(=O)C2=CC=C(C=C2)C)C3=CC(=CC(=C3C(=O)OC)OC)OC

InChI

InChI=1S/C29H34O6S2/c1-20-9-13-23(14-10-20)36-27(8-6-7-17-37(31,32)24-15-11-21(2)12-16-24)25-18-22(33-3)19-26(34-4)28(25)29(30)35-5/h9-16,18-19,27H,6-8,17H2,1-5H3