2-[4-[(2,5-diethoxyphenyl)sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(2,5-diethoxyphenyl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(2,5-diethoxyphenyl)sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[(2,5-diethoxyphenyl)thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(2,5-diethoxyphenyl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[(2,5-diethoxyphenyl)thio]methyl]phenyl]acetic acid Formula: C19H22O4S MolecularWeight: 346.44058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O4S/c1-3-22-16-9-10-17(23-4-2)18(12-16)24-13-15-7-5-14(6-8-15)11-19(20)21/h5-10,12H,3-4,11,13H2,1-2H3,(H,20,21)