decyl-methyl-nonyl-phenyl-azanium benzoate

Systemtic Name: decyl-methyl-nonyl-phenyl-azanium benzoate Openeye Name: decyl-methyl-nonyl-phenyl-ammonium benzoate CAS Name: decyl-methyl-nonyl-phenylammonium benzoate IUPAC Name: decyl-methyl-nonyl-phenylazanium benzoate Traditional Name: decyl-methyl-nonyl-phenyl-ammonium benzoate Formula: C33H53NO2 MolecularWeight: 495.77942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](C)(CCCCCCCCC)C1=CC=CC=C1.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC[N+](C)(CCCCCCCCC)C1=CC=CC=C1.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C26H48N.C7H6O2/c1-4-6-8-10-12-14-16-21-25-27(3,26-22-18-17-19-23-26)24-20-15-13-11-9-7-5-2;8-7(9)6-4-2-1-3-5-6/h17-19,22-23H,4-16,20-21,24-25H2,1-3H3;1-5H,(H,8,9)/q+1;/p-1