4-methoxy-2-methylsulfanyl-3-pentoxy-benzoic acid

Systemtic Name: 4-methoxy-2-methylsulfanyl-3-pentoxy-benzoic acid Openeye Name: 4-methoxy-2-methylsulfanyl-3-pentoxy-benzoic acid CAS Name: 4-methoxy-2-(methylthio)-3-pentoxybenzoic acid IUPAC Name: 4-methoxy-2-methylsulfanyl-3-pentoxybenzoic acid Traditional Name: 3-amoxy-4-methoxy-2-(methylthio)benzoic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1SC)C(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1SC)C(=O)O)OC

InChI

InChI=1S/C14H20O4S/c1-4-5-6-9-18-12-11(17-2)8-7-10(14(15)16)13(12)19-3/h7-8H,4-6,9H2,1-3H3,(H,15,16)