3-[(2,5-diethoxyphenyl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(2,5-diethoxyphenyl)sulfanylmethyl]benzoate Openeye Name: 3-[(2,5-diethoxyphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,5-diethoxyphenyl)thio]methyl]benzoate IUPAC Name: 3-[(2,5-diethoxyphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,5-diethoxyphenyl)thio]methyl]benzoate Formula: C18H19O4S- MolecularWeight: 331.40606

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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)/p-1