3,4-bis[3-(3-methoxy-3-oxidanylidene-propyl)sulfanylpropyl]phthalate

Systemtic Name: 3,4-bis[3-(3-methoxy-3-oxidanylidene-propyl)sulfanylpropyl]phthalate Openeye Name: 3,4-bis[3-(3-methoxy-3-oxo-propyl)sulfanylpropyl]phthalate CAS Name: 3,4-bis[3-[(3-methoxy-3-oxopropyl)thio]propyl]phthalate IUPAC Name: 3,4-bis[3-(3-methoxy-3-oxopropyl)sulfanylpropyl]phthalate Traditional Name: 3,4-bis[3-[(3-keto-3-methoxy-propyl)thio]propyl]phthalate Formula: C22H28O8S2-2 MolecularWeight: 484.58292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCSCCC(=O)OC

Isomeric SMILES

COC(=O)CCSCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCSCCC(=O)OC

InChI

InChI=1S/C22H30O8S2/c1-29-18(23)9-13-31-11-3-5-15-7-8-17(21(25)26)20(22(27)28)16(15)6-4-12-32-14-10-19(24)30-2/h7-8H,3-6,9-14H2,1-2H3,(H,25,26)(H,27,28)/p-2