3,4-bis(3-carboxysulfanyl-1-propan-2-ylsulfanyl-propyl)phthalic acid

Systemtic Name: 3,4-bis(3-carboxysulfanyl-1-propan-2-ylsulfanyl-propyl)phthalic acid Openeye Name: 3,4-bis(3-carboxysulfanyl-1-isopropylsulfanyl-propyl)phthalic acid CAS Name: 3,4-bis[3-(carboxythio)-1-(propan-2-ylthio)propyl]phthalic acid IUPAC Name: 3,4-bis(3-carboxysulfanyl-1-propan-2-ylsulfanylpropyl)phthalic acid Traditional Name: 3,4-bis[3-(carboxythio)-1-(isopropylthio)propyl]phthalic acid Formula: C22H30O8S4 MolecularWeight: 550.7288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(CCSC(=O)O)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCSC(=O)O)SC(C)C

Isomeric SMILES

CC(C)SC(CCSC(=O)O)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCSC(=O)O)SC(C)C

InChI

InChI=1S/C22H30O8S4/c1-11(2)33-15(7-9-31-21(27)28)13-5-6-14(19(23)24)18(20(25)26)17(13)16(34-12(3)4)8-10-32-22(29)30/h5-6,11-12,15-16H,7-10H2,1-4H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)