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

Systemtic Name: 3,4-bis[3-(3-ethoxycarbonyldecylsulfanyl)propyl]phthalic acid Openeye Name: 3,4-bis[3-(3-ethoxycarbonyldecylsulfanyl)propyl]phthalic acid CAS Name: 3,4-bis[3-(3-ethoxycarbonyldecylthio)propyl]phthalic acid IUPAC Name: 3,4-bis[3-(3-ethoxycarbonyldecylsulfanyl)propyl]phthalic acid Traditional Name: 3,4-bis[3-(3-carbethoxydecylthio)propyl]phthalic acid Formula: C40H66O8S2 MolecularWeight: 739.07724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCCC(CCCCCCC)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCC(CCSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCCC(CCCCCCC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C40H66O8S2/c1-5-9-11-13-15-19-32(39(45)47-7-3)25-29-49-27-17-21-31-23-24-35(37(41)42)36(38(43)44)34(31)22-18-28-50-30-26-33(40(46)48-8-4)20-16-14-12-10-6-2/h23-24,32-33H,5-22,25-30H2,1-4H3,(H,41,42)(H,43,44)