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

Systemtic Name: 3-[2-(2,5-diethoxyphenyl)sulfanylethoxy]benzoic acid Openeye Name: 3-[2-(2,5-diethoxyphenyl)sulfanylethoxy]benzoic acid CAS Name: 3-[2-[(2,5-diethoxyphenyl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-(2,5-diethoxyphenyl)sulfanylethoxy]benzoic acid Traditional Name: 3-[2-[(2,5-diethoxyphenyl)thio]ethoxy]benzoic acid Formula: C19H22O5S MolecularWeight: 362.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)SCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)SCCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H22O5S/c1-3-22-16-8-9-17(23-4-2)18(13-16)25-11-10-24-15-7-5-6-14(12-15)19(20)21/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,21)