4-methyl-5-[(3,4,5-tricarboxy-2-methyl-cyclohexyl)disulfanyl]cyclohexane-1,2,3-tricarboxylic acid

Systemtic Name: 4-methyl-5-[(3,4,5-tricarboxy-2-methyl-cyclohexyl)disulfanyl]cyclohexane-1,2,3-tricarboxylic acid Openeye Name: 4-methyl-5-[(3,4,5-tricarboxy-2-methyl-cyclohexyl)disulfanyl]cyclohexane-1,2,3-tricarboxylic acid CAS Name: 4-methyl-5-[(3,4,5-tricarboxy-2-methylcyclohexyl)disulfanyl]cyclohexane-1,2,3-tricarboxylic acid IUPAC Name: 4-methyl-5-[(3,4,5-tricarboxy-2-methylcyclohexyl)disulfanyl]cyclohexane-1,2,3-tricarboxylic acid Traditional Name: 4-methyl-5-[(3,4,5-tricarboxy-2-methyl-cyclohexyl)disulfanyl]cyclohexane-1,2,3-tricarboxylic acid Formula: C20H26O12S2 MolecularWeight: 522.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(C(C1C(=O)O)C(=O)O)C(=O)O)SSC2CC(C(C(C2C)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1C(CC(C(C1C(=O)O)C(=O)O)C(=O)O)SSC2CC(C(C(C2C)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H26O12S2/c1-5-9(3-7(15(21)22)13(19(29)30)11(5)17(25)26)33-34-10-4-8(16(23)24)14(20(31)32)12(6(10)2)18(27)28/h5-14H,3-4H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)