[(4-octoxyphenyl)-phenyl-(phenylcarbonyl)azaniumyl]methanoate

Systemtic Name: [(4-octoxyphenyl)-phenyl-(phenylcarbonyl)azaniumyl]methanoate Openeye Name: [benzoyl-(4-octoxyphenyl)-phenyl-ammonio]formate CAS Name: [benzoyl-(4-octoxyphenyl)-phenylammonio]formate IUPAC Name: [benzoyl-(4-octoxyphenyl)-phenylazaniumyl]formate Traditional Name: [benzoyl-(4-octoxyphenyl)-phenyl-ammonio]formate Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)[N+](C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)[N+](C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C28H31NO4/c1-2-3-4-5-6-13-22-33-26-20-18-25(19-21-26)29(28(31)32,24-16-11-8-12-17-24)27(30)23-14-9-7-10-15-23/h7-12,14-21H,2-6,13,22H2,1H3