3-azanyl-1-(2-diethylaminoethyl)-2-dodecyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-azanyl-1-(2-diethylaminoethyl)-2-dodecyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-amino-1-(2-diethylaminoethyl)-2-dodecyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid citrate CAS Name: 3-amino-1-(2-diethylaminoethyl)-2-dodecylcyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-amino-1-(2-diethylaminoethyl)-2-dodecylcyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-amino-1-(2-diethylaminoethyl)-2-lauryl-cyclohexa-3,5-diene-1,2-dicarboxylic acid citrate Formula: C32H51N2O11-3 MolecularWeight: 639.75414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCC1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C26H46N2O4.C6H8O7/c1-4-7-8-9-10-11-12-13-14-15-19-26(24(31)32)22(27)17-16-18-25(26,23(29)30)20-21-28(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h16-18H,4-15,19-21,27H2,1-3H3,(H,29,30)(H,31,32);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3