6-(4-methoxycarbonylphenyl)sulfanyl-7-oxidanylidene-heptanoic acid

Systemtic Name: 6-(4-methoxycarbonylphenyl)sulfanyl-7-oxidanylidene-heptanoic acid Openeye Name: 6-(4-methoxycarbonylphenyl)sulfanyl-7-oxo-heptanoic acid CAS Name: 6-[(4-methoxycarbonylphenyl)thio]-7-oxoheptanoic acid IUPAC Name: 6-(4-methoxycarbonylphenyl)sulfanyl-7-oxoheptanoic acid Traditional Name: 6-[(4-carbomethoxyphenyl)thio]-7-keto-enanthic acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC(CCCCC(=O)O)C=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC(CCCCC(=O)O)C=O

InChI

InChI=1S/C15H18O5S/c1-20-15(19)11-6-8-12(9-7-11)21-13(10-16)4-2-3-5-14(17)18/h6-10,13H,2-5H2,1H3,(H,17,18)