4-cyclohexyl-3-(1-cyclohexylethyl)-2-oxidanyl-pentane-1,2,3-tricarboxylic acid

Systemtic Name: 4-cyclohexyl-3-(1-cyclohexylethyl)-2-oxidanyl-pentane-1,2,3-tricarboxylic acid Openeye Name: 4-cyclohexyl-3-(1-cyclohexylethyl)-2-hydroxy-pentane-1,2,3-tricarboxylic acid CAS Name: 4-cyclohexyl-3-(1-cyclohexylethyl)-2-hydroxypentane-1,2,3-tricarboxylic acid IUPAC Name: 4-cyclohexyl-3-(1-cyclohexylethyl)-2-hydroxypentane-1,2,3-tricarboxylic acid Traditional Name: 4-cyclohexyl-3-(1-cyclohexylethyl)-2-hydroxy-pentane-1,2,3-tricarboxylic acid Formula: C22H36O7 MolecularWeight: 412.51704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)C(C(C)C2CCCCC2)(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C1CCCCC1)C(C(C)C2CCCCC2)(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H36O7/c1-14(16-9-5-3-6-10-16)22(20(27)28,15(2)17-11-7-4-8-12-17)21(29,19(25)26)13-18(23)24/h14-17,29H,3-13H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)