9-ethylcarbazole-3,6-dicarboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 9-ethylcarbazole-3,6-dicarboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 9-ethylcarbazole-3,6-dicarboxamide CAS Name: 9-ethylcarbazole-3,6-dicarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 9-ethylcarbazole-3,6-dicarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 9-ethylcarbazole-3,6-dicarboxamide Formula: C28H31N3O16 MolecularWeight: 665.55624

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N)C3=C1C=CC(=C3)C(=O)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N)C3=C1C=CC(=C3)C(=O)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H15N3O2.2C6H8O7/c1-2-19-13-5-3-9(15(17)20)7-11(13)12-8-10(16(18)21)4-6-14(12)19;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8H,2H2,1H3,(H2,17,20)(H2,18,21);2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)