3,4-bis[3-(4-ethoxy-4-oxidanylidene-butyl)sulfanylpropyl]phthalate

Systemtic Name: 3,4-bis[3-(4-ethoxy-4-oxidanylidene-butyl)sulfanylpropyl]phthalate Openeye Name: 3,4-bis[3-(4-ethoxy-4-oxo-butyl)sulfanylpropyl]phthalate CAS Name: 3,4-bis[3-[(4-ethoxy-4-oxobutyl)thio]propyl]phthalate IUPAC Name: 3,4-bis[3-(4-ethoxy-4-oxobutyl)sulfanylpropyl]phthalate Traditional Name: 3,4-bis[3-[(4-ethoxy-4-keto-butyl)thio]propyl]phthalate Formula: C26H36O8S2-2 MolecularWeight: 540.68924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCSCCCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCCSCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCSCCCC(=O)OCC

InChI

InChI=1S/C26H38O8S2/c1-3-33-22(27)11-7-17-35-15-5-9-19-13-14-21(25(29)30)24(26(31)32)20(19)10-6-16-36-18-8-12-23(28)34-4-2/h13-14H,3-12,15-18H2,1-2H3,(H,29,30)(H,31,32)/p-2