3-azanyl-1-(2-diethylaminoethyl)-2-octadecyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid

Systemtic Name: 3-azanyl-1-(2-diethylaminoethyl)-2-octadecyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Openeye Name: 3-amino-1-(2-diethylaminoethyl)-2-octadecyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid CAS Name: 3-amino-1-(2-diethylaminoethyl)-2-octadecylcyclohexa-3,5-diene-1,2-dicarboxylic acid IUPAC Name: 3-amino-1-(2-diethylaminoethyl)-2-octadecylcyclohexa-3,5-diene-1,2-dicarboxylic acid Traditional Name: 3-amino-1-(2-diethylaminoethyl)-2-stearyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Formula: C32H58N2O4 MolecularWeight: 534.81392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1(C(=CC=CC1(CCN(CC)CC)C(=O)O)N)C(=O)O

InChI

InChI=1S/C32H58N2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-32(30(37)38)28(33)23-22-24-31(32,29(35)36)26-27-34(5-2)6-3/h22-24H,4-21,25-27,33H2,1-3H3,(H,35,36)(H,37,38)