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3,4-bis[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylpropyl]phthalic acid

3,4-bis[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylpropyl]phthalic acid

Systemtic Name:3,4-bis[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylpropyl]phthalic acid
Openeye Name:3,4-bis[3-(2-ethoxy-2-oxo-ethyl)sulfanylpropyl]phthalic acid
CAS Name:3,4-bis[3-[(2-ethoxy-2-oxoethyl)thio]propyl]phthalic acid
IUPAC Name:3,4-bis[3-(2-ethoxy-2-oxoethyl)sulfanylpropyl]phthalic acid
Traditional Name:3,4-bis[3-[(2-ethoxy-2-keto-ethyl)thio]propyl]phthalic acid
Formula: C22H30O8S2
MolecularWeight: 486.5988
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCC(=O)OCC


Isomeric SMILES

CCOC(=O)CSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCC(=O)OCC


InChI

InChI=1S/C22H30O8S2/c1-3-29-18(23)13-31-11-5-7-15-9-10-17(21(25)26)20(22(27)28)16(15)8-6-12-32-14-19(24)30-4-2/h9-10H,3-8,11-14H2,1-2H3,(H,25,26)(H,27,28)


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