[4-(4-hydroxyphenyl)sulfanylphenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-(4-hydroxyphenyl)sulfanylphenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-(4-hydroxyphenyl)sulfanylphenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[(4-hydroxyphenyl)thio]phenyl] ester IUPAC Name: [4-(4-hydroxyphenyl)sulfanylphenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(4-hydroxyphenyl)thio]phenyl] ester Formula: C22H20O6S MolecularWeight: 412.4556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)SC3=CC=C(C=C3)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)SC3=CC=C(C=C3)O

InChI

InChI=1S/C22H20O6S/c1-25-19-12-14(13-20(26-2)21(19)27-3)22(24)28-16-6-10-18(11-7-16)29-17-8-4-15(23)5-9-17/h4-13,23H,1-3H3