4-butyl-2-ethoxy-3-sulfanyl-benzoic acid

Systemtic Name: 4-butyl-2-ethoxy-3-sulfanyl-benzoic acid Openeye Name: 4-butyl-2-ethoxy-3-sulfanyl-benzoic acid CAS Name: 4-butyl-2-ethoxy-3-mercaptobenzoic acid IUPAC Name: 4-butyl-2-ethoxy-3-sulfanylbenzoic acid Traditional Name: 4-butyl-2-ethoxy-3-mercapto-benzoic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)O)OCC)S

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)O)OCC)S

InChI

InChI=1S/C13H18O3S/c1-3-5-6-9-7-8-10(13(14)15)11(12(9)17)16-4-2/h7-8,17H,3-6H2,1-2H3,(H,14,15)