2-(furan-2-ylmethyl)cyclohexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-(furan-2-ylmethyl)cyclohexan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-(2-furylmethyl)cyclohexanamine CAS Name: 2-(2-furanylmethyl)-1-cyclohexanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-(furan-2-ylmethyl)cyclohexan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; [2-(2-furfuryl)cyclohexyl]amine Formula: C17H25NO8 MolecularWeight: 371.3823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CC2=CC=CO2)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCC(C(C1)CC2=CC=CO2)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C11H17NO.C6H8O7/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,5,7,9,11H,1-2,4,6,8,12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)