3-(3-methoxybutoxy)-4-methylsulfanyl-benzoic acid

Systemtic Name: 3-(3-methoxybutoxy)-4-methylsulfanyl-benzoic acid Openeye Name: 3-(3-methoxybutoxy)-4-methylsulfanyl-benzoic acid CAS Name: 3-(3-methoxybutoxy)-4-(methylthio)benzoic acid IUPAC Name: 3-(3-methoxybutoxy)-4-methylsulfanylbenzoic acid Traditional Name: 3-(3-methoxybutoxy)-4-(methylthio)benzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=CC(=C1)C(=O)O)SC)OC

Isomeric SMILES

CC(CCOC1=C(C=CC(=C1)C(=O)O)SC)OC

InChI

InChI=1S/C13H18O4S/c1-9(16-2)6-7-17-11-8-10(13(14)15)4-5-12(11)18-3/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)