3,4-bis[3-(3-ethoxycarbonylpentylsulfanyl)propyl]phthalic acid

Systemtic Name: 3,4-bis[3-(3-ethoxycarbonylpentylsulfanyl)propyl]phthalic acid Openeye Name: 3,4-bis[3-(3-ethoxycarbonylpentylsulfanyl)propyl]phthalic acid CAS Name: 3,4-bis[3-(3-ethoxycarbonylpentylthio)propyl]phthalic acid IUPAC Name: 3,4-bis[3-(3-ethoxycarbonylpentylsulfanyl)propyl]phthalic acid Traditional Name: 3,4-bis[3-(3-carbethoxypentylthio)propyl]phthalic acid Formula: C30H46O8S2 MolecularWeight: 598.81144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCCC(CC)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC(CCSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCCC(CC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C30H46O8S2/c1-5-21(29(35)37-7-3)15-19-39-17-9-11-23-13-14-25(27(31)32)26(28(33)34)24(23)12-10-18-40-20-16-22(6-2)30(36)38-8-4/h13-14,21-22H,5-12,15-20H2,1-4H3,(H,31,32)(H,33,34)