3,4-bis[1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylpropyl]phthalic acid

Systemtic Name: 3,4-bis[1-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylpropyl]phthalic acid Openeye Name: 3,4-bis[1-(4-hydroxy-4-oxo-butyl)sulfanylpropyl]phthalic acid CAS Name: 3,4-bis[1-[(4-hydroxy-4-oxobutyl)thio]propyl]phthalic acid IUPAC Name: 3,4-bis[1-(4-hydroxy-4-oxobutyl)sulfanylpropyl]phthalic acid Traditional Name: 3,4-bis[1-[(4-hydroxy-4-keto-butyl)thio]propyl]phthalic acid Formula: C22H30O8S2 MolecularWeight: 486.5988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

CCC(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CC)SCCCC(=O)O)SCCCC(=O)O

InChI

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