2-(2,5-diethoxy-4-methyl-phenyl)sulfanylbenzoic acid

Systemtic Name: 2-(2,5-diethoxy-4-methyl-phenyl)sulfanylbenzoic acid Openeye Name: 2-(2,5-diethoxy-4-methyl-phenyl)sulfanylbenzoic acid CAS Name: 2-[(2,5-diethoxy-4-methylphenyl)thio]benzoic acid IUPAC Name: 2-(2,5-diethoxy-4-methylphenyl)sulfanylbenzoic acid Traditional Name: 2-[(2,5-diethoxy-4-methyl-phenyl)thio]benzoic acid Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C)OCC)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1C)OCC)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H20O4S/c1-4-21-14-11-17(15(22-5-2)10-12(14)3)23-16-9-7-6-8-13(16)18(19)20/h6-11H,4-5H2,1-3H3,(H,19,20)