3,4-bis[3-(2-carboxyethylsulfanyl)propyl]phthalate

Systemtic Name: 3,4-bis[3-(2-carboxyethylsulfanyl)propyl]phthalate Openeye Name: 3,4-bis[3-(2-carboxyethylsulfanyl)propyl]phthalate CAS Name: 3,4-bis[3-(2-carboxyethylthio)propyl]phthalate IUPAC Name: 3,4-bis[3-(2-carboxyethylsulfanyl)propyl]phthalate Traditional Name: 3,4-bis[3-(2-carboxyethylthio)propyl]phthalate Formula: C20H24O8S2-2 MolecularWeight: 456.52976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CCCSCCC(=O)O)CCCSCCC(=O)O)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1CCCSCCC(=O)O)CCCSCCC(=O)O)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H26O8S2/c21-16(22)7-11-29-9-1-3-13-5-6-15(19(25)26)18(20(27)28)14(13)4-2-10-30-12-8-17(23)24/h5-6H,1-4,7-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)/p-2