2-oxidanylpropane-1,2,3-tricarboxylic acid; (4-prop-2-enoxy-3,5-dipropyl-phenyl)methanamine

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; (4-prop-2-enoxy-3,5-dipropyl-phenyl)methanamine Openeye Name: (4-allyloxy-3,5-dipropyl-phenyl)methanamine; citric acid CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (4-prop-2-enoxy-3,5-dipropylphenyl)methanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (4-prop-2-enoxy-3,5-dipropylphenyl)methanamine Traditional Name: (4-allyloxy-3,5-dipropyl-benzyl)amine; citric acid Formula: C22H33NO8 MolecularWeight: 439.49932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OCC=C)CCC)CN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCC1=CC(=CC(=C1OCC=C)CCC)CN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H25NO.C6H8O7/c1-4-7-14-10-13(12-17)11-15(8-5-2)16(14)18-9-6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h6,10-11H,3-5,7-9,12,17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)