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

Systemtic Name: 3,4-bis[3-(2-methoxy-2-oxidanylidene-ethyl)sulfanylpropyl]phthalic acid Openeye Name: 3,4-bis[3-(2-methoxy-2-oxo-ethyl)sulfanylpropyl]phthalic acid CAS Name: 3,4-bis[3-[(2-methoxy-2-oxoethyl)thio]propyl]phthalic acid IUPAC Name: 3,4-bis[3-(2-methoxy-2-oxoethyl)sulfanylpropyl]phthalic acid Traditional Name: 3,4-bis[3-[(2-keto-2-methoxy-ethyl)thio]propyl]phthalic acid Formula: C20H26O8S2 MolecularWeight: 458.54564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCC(=O)OC

Isomeric SMILES

COC(=O)CSCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCSCC(=O)OC

InChI

InChI=1S/C20H26O8S2/c1-27-16(21)11-29-9-3-5-13-7-8-15(19(23)24)18(20(25)26)14(13)6-4-10-30-12-17(22)28-2/h7-8H,3-6,9-12H2,1-2H3,(H,23,24)(H,25,26)