2-[carboxymethylsulfanyl-[4-(4-pentoxyphenyl)carbonyloxyphenyl]methyl]sulfanylethanoic acid

Systemtic Name: 2-[carboxymethylsulfanyl-[4-(4-pentoxyphenyl)carbonyloxyphenyl]methyl]sulfanylethanoic acid Openeye Name: 2-[carboxymethylsulfanyl-[4-(4-pentoxybenzoyl)oxyphenyl]methyl]sulfanylacetic acid CAS Name: 2-[[(carboxymethylthio)-[4-[oxo-(4-pentoxyphenyl)methoxy]phenyl]methyl]thio]acetic acid IUPAC Name: 2-[carboxymethylsulfanyl-[4-(4-pentoxybenzoyl)oxyphenyl]methyl]sulfanylacetic acid Traditional Name: 2-[[[4-(4-amoxybenzoyl)oxyphenyl]-(carboxymethylthio)methyl]thio]acetic acid Formula: C23H26O7S2 MolecularWeight: 478.57834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(SCC(=O)O)SCC(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C23H26O7S2/c1-2-3-4-13-29-18-9-5-16(6-10-18)22(28)30-19-11-7-17(8-12-19)23(31-14-20(24)25)32-15-21(26)27/h5-12,23H,2-4,13-15H2,1H3,(H,24,25)(H,26,27)