3,4-bis[1-(3-carboxypentylsulfanyl)propyl]phthalate

Systemtic Name: 3,4-bis[1-(3-carboxypentylsulfanyl)propyl]phthalate Openeye Name: 3,4-bis[1-(3-carboxypentylsulfanyl)propyl]phthalate CAS Name: 3,4-bis[1-(3-carboxypentylthio)propyl]phthalate IUPAC Name: 3,4-bis[1-(3-carboxypentylsulfanyl)propyl]phthalate Traditional Name: 3,4-bis[1-(3-carboxypentylthio)propyl]phthalate Formula: C26H36O8S2-2 MolecularWeight: 540.68924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCSC(CC)C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(CC)SCCC(CC)C(=O)O)C(=O)O

Isomeric SMILES

CCC(CCSC(CC)C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(CC)SCCC(CC)C(=O)O)C(=O)O

InChI

InChI=1S/C26H38O8S2/c1-5-15(23(27)28)11-13-35-19(7-3)17-9-10-18(25(31)32)22(26(33)34)21(17)20(8-4)36-14-12-16(6-2)24(29)30/h9-10,15-16,19-20H,5-8,11-14H2,1-4H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)/p-2