2-azanyl-1-cyclohexyl-6-methyl-heptane-3,4-diol; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-azanyl-1-cyclohexyl-6-methyl-heptane-3,4-diol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 2-amino-1-cyclohexyl-6-methyl-heptane-3,4-diol; citric acid CAS Name: 2-amino-1-cyclohexyl-6-methylheptane-3,4-diol; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-amino-1-cyclohexyl-6-methylheptane-3,4-diol; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-amino-1-cyclohexyl-6-methyl-heptane-3,4-diol; citric acid Formula: C20H37NO9 MolecularWeight: 435.50908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)N)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(C(C(CC1CCCCC1)N)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H29NO2.C6H8O7/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h10-14,16-17H,3-9,15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)