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

Systemtic Name: 6-(4-methoxycarbonylphenyl)sulfanyl-7-oxidanyl-heptanoic acid Openeye Name: 7-hydroxy-6-(4-methoxycarbonylphenyl)sulfanyl-heptanoic acid CAS Name: 7-hydroxy-6-[(4-methoxycarbonylphenyl)thio]heptanoic acid IUPAC Name: 7-hydroxy-6-(4-methoxycarbonylphenyl)sulfanylheptanoic acid Traditional Name: 6-[(4-carbomethoxyphenyl)thio]-7-hydroxy-enanthic acid Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O5S/c1-20-15(19)11-6-8-12(9-7-11)21-13(10-16)4-2-3-5-14(17)18/h6-9,13,16H,2-5,10H2,1H3,(H,17,18)