4-[2-(3-ethoxyphenyl)sulfanylethoxy]benzoic acid

Systemtic Name: 4-[2-(3-ethoxyphenyl)sulfanylethoxy]benzoic acid Openeye Name: 4-[2-(3-ethoxyphenyl)sulfanylethoxy]benzoic acid CAS Name: 4-[2-[(3-ethoxyphenyl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-(3-ethoxyphenyl)sulfanylethoxy]benzoic acid Traditional Name: 4-[2-(m-phenetylthio)ethoxy]benzoic acid Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4S/c1-2-20-15-4-3-5-16(12-15)22-11-10-21-14-8-6-13(7-9-14)17(18)19/h3-9,12H,2,10-11H2,1H3,(H,18,19)