[(E)-docos-13-enyl] 2-oxidanylbenzoate; trimethylazanium

Systemtic Name: [(E)-docos-13-enyl] 2-oxidanylbenzoate; trimethylazanium Openeye Name: [(E)-docos-13-enyl] 2-hydroxybenzoate; trimethylammonium CAS Name: 2-hydroxybenzoic acid [(E)-docos-13-enyl] ester; trimethylammonium IUPAC Name: [(E)-docos-13-enyl] 2-hydroxybenzoate; trimethylazanium Traditional Name: 2-hydroxybenzoic acid [(E)-docos-13-enyl] ester; trimethylammonium Formula: C32H58NO3+ MolecularWeight: 504.80782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1O.C[NH+](C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCOC(=O)C1=CC=CC=C1O.C[NH+](C)C

InChI

InChI=1S/C29H48O3.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-32-29(31)27-24-21-22-25-28(27)30;1-4(2)3/h9-10,21-22,24-25,30H,2-8,11-20,23,26H2,1H3;1-3H3/p+1/b10-9+;