3-[(2,5-diethoxyphenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(2,5-diethoxyphenyl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(2,5-diethoxyphenyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(2,5-diethoxyphenyl)thio]methyl]benzoic acid IUPAC Name: 3-[(2,5-diethoxyphenyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(2,5-diethoxyphenyl)thio]methyl]benzoic acid Formula: C18H20O4S MolecularWeight: 332.414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H20O4S/c1-3-21-15-8-9-16(22-4-2)17(11-15)23-12-13-6-5-7-14(10-13)18(19)20/h5-11H,3-4,12H2,1-2H3,(H,19,20)