3,4-bis[3-(4-ethoxy-3-methyl-4-oxidanylidene-butyl)sulfanylpropyl]phthalic acid

Systemtic Name: 3,4-bis[3-(4-ethoxy-3-methyl-4-oxidanylidene-butyl)sulfanylpropyl]phthalic acid Openeye Name: 3,4-bis[3-(4-ethoxy-3-methyl-4-oxo-butyl)sulfanylpropyl]phthalic acid CAS Name: 3,4-bis[3-[(4-ethoxy-3-methyl-4-oxobutyl)thio]propyl]phthalic acid IUPAC Name: 3,4-bis[3-(4-ethoxy-3-methyl-4-oxobutyl)sulfanylpropyl]phthalic acid Traditional Name: 3,4-bis[3-[(4-ethoxy-4-keto-3-methyl-butyl)thio]propyl]phthalic acid Formula: C28H42O8S2 MolecularWeight: 570.75828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCCC(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)CCSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCCC(C)C(=O)OCC

InChI

InChI=1S/C28H42O8S2/c1-5-35-27(33)19(3)13-17-37-15-7-9-21-11-12-23(25(29)30)24(26(31)32)22(21)10-8-16-38-18-14-20(4)28(34)36-6-2/h11-12,19-20H,5-10,13-18H2,1-4H3,(H,29,30)(H,31,32)