2-diethylaminoethyl 2-(2-methyl-1,3-benzodioxol-2-yl)ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-diethylaminoethyl 2-(2-methyl-1,3-benzodioxol-2-yl)ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-diethylaminoethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(2-methyl-1,3-benzodioxol-2-yl)acetic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2-(2-methyl-1,3-benzodioxol-2-yl)acetic acid 2-diethylaminoethyl ester Formula: C22H31NO11 MolecularWeight: 485.48164

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)CC1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC(=O)CC1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H23NO4.C6H8O7/c1-4-17(5-2)10-11-19-15(18)12-16(3)20-13-8-6-7-9-14(13)21-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-9H,4-5,10-12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)