2-ethyl-1,3-dihydrobenzo[f]isoindole; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-ethyl-1,3-dihydrobenzo[f]isoindole; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-ethyl-1,3-dihydrobenzo[f]isoindole CAS Name: 2-ethyl-1,3-dihydrobenzo[f]isoindole; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-ethyl-1,3-dihydrobenzo[f]isoindole; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2-ethyl-1,3-dihydrobenz[f]isoindole Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2=CC3=CC=CC=C3C=C2C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN1CC2=CC3=CC=CC=C3C=C2C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H15N.C6H8O7/c1-2-15-9-13-7-11-5-3-4-6-12(11)8-14(13)10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8H,2,9-10H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)