[(2E,12E)-16-[(3-carbonochloridoylphenyl)amino]hexadeca-2,12-dienoyl] benzoate

Systemtic Name: [(2E,12E)-16-[(3-carbonochloridoylphenyl)amino]hexadeca-2,12-dienoyl] benzoate Openeye Name: [(2E,12E)-16-(3-chlorocarbonylanilino)hexadeca-2,12-dienoyl] benzoate CAS Name: benzoic acid [(2E,12E)-16-(3-carbonochloridoylanilino)-1-oxohexadeca-2,12-dienyl] ester IUPAC Name: [(2E,12E)-16-(3-carbonochloridoylanilino)hexadeca-2,12-dienoyl] benzoate Traditional Name: benzoic acid [(2E,12E)-16-(3-chlorocarbonylanilino)hexadeca-2,12-dienoyl] ester Formula: C30H36ClNO4 MolecularWeight: 510.06414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(=O)C=CCCCCCCCCC=CCCCNC2=CC=CC(=C2)C(=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(=O)/C=C/CCCCCCCC/C=C/CCCNC2=CC=CC(=C2)C(=O)Cl

InChI

InChI=1S/C30H36ClNO4/c31-29(34)26-20-17-21-27(24-26)32-23-16-11-9-7-5-3-1-2-4-6-8-10-15-22-28(33)36-30(35)25-18-13-12-14-19-25/h7,9,12-15,17-22,24,32H,1-6,8,10-11,16,23H2/b9-7+,22-15+