2-methylheptane; 2-oxidanylpropane-1,2,3-tricarboxylic acid; phosphoric acid

Systemtic Name: 2-methylheptane; 2-oxidanylpropane-1,2,3-tricarboxylic acid; phosphoric acid Openeye Name: citric acid; 2-methylheptane; phosphoric acid CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-methylheptane; phosphoric acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-methylheptane; phosphoric acid Traditional Name: citric acid; 2-methylheptane; phosphoric acid Formula: C14H29O11P MolecularWeight: 404.347221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.OP(=O)(O)O

Isomeric SMILES

CCCCCC(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.OP(=O)(O)O

InChI

InChI=1S/C8H18.C6H8O7.H3O4P/c1-4-5-6-7-8(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10;1-5(2,3)4/h8H,4-7H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);(H3,1,2,3,4)