azanium 1-(4-dodecyl-2,3-dimethyl-phenyl)-2-phenyl-ethane-1,2-dione chloride

Systemtic Name: azanium 1-(4-dodecyl-2,3-dimethyl-phenyl)-2-phenyl-ethane-1,2-dione chloride Openeye Name: ammonium 1-(4-dodecyl-2,3-dimethyl-phenyl)-2-phenyl-ethane-1,2-dione chloride CAS Name: ammonium 1-(4-dodecyl-2,3-dimethylphenyl)-2-phenylethane-1,2-dione chloride IUPAC Name: azanium 1-(4-dodecyl-2,3-dimethylphenyl)-2-phenylethane-1,2-dione chloride Traditional Name: ammonium 1-(4-lauryl-2,3-dimethyl-phenyl)-2-phenyl-ethane-1,2-dione chloride Formula: C28H42ClNO2 MolecularWeight: 460.09158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)C)C.[NH4+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)C)C.[NH4+].[Cl-]

InChI

InChI=1S/C28H38O2.ClH.H3N/c1-4-5-6-7-8-9-10-11-12-14-17-24-20-21-26(23(3)22(24)2)28(30)27(29)25-18-15-13-16-19-25;;/h13,15-16,18-21H,4-12,14,17H2,1-3H3;1H;1H3