2-(4-methoxycarbonylphenyl)sulfanylheptanedioic acid

Systemtic Name: 2-(4-methoxycarbonylphenyl)sulfanylheptanedioic acid Openeye Name: 2-(4-methoxycarbonylphenyl)sulfanylheptanedioic acid CAS Name: 2-[(4-methoxycarbonylphenyl)thio]heptanedioic acid IUPAC Name: 2-(4-methoxycarbonylphenyl)sulfanylheptanedioic acid Traditional Name: 2-[(4-carbomethoxyphenyl)thio]pimelic acid Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O6S/c1-21-15(20)10-6-8-11(9-7-10)22-12(14(18)19)4-2-3-5-13(16)17/h6-9,12H,2-5H2,1H3,(H,16,17)(H,18,19)