2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]benzoic acid CAS Name: 2-[(3,4,5-trimethoxyphenyl)methylthio]benzoic acid IUPAC Name: 2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(3,4,5-trimethoxybenzyl)thio]benzoic acid Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H18O5S/c1-20-13-8-11(9-14(21-2)16(13)22-3)10-23-15-7-5-4-6-12(15)17(18)19/h4-9H,10H2,1-3H3,(H,18,19)