[(Z)-2-benzamido-3-[(2,4-dinitrophenyl)amino]-3-oxidanylidene-1-phenyl-prop-1-enyl]-triphenyl-phosphanium perchlorate

Systemtic Name: [(Z)-2-benzamido-3-[(2,4-dinitrophenyl)amino]-3-oxidanylidene-1-phenyl-prop-1-enyl]-triphenyl-phosphanium perchlorate Openeye Name: [(Z)-2-benzamido-3-(2,4-dinitroanilino)-3-oxo-1-phenyl-prop-1-enyl]-triphenyl-phosphonium perchlorate CAS Name: [(Z)-2-benzamido-3-(2,4-dinitroanilino)-3-oxo-1-phenylprop-1-enyl]-triphenylphosphonium perchlorate IUPAC Name: [(Z)-2-benzamido-3-(2,4-dinitroanilino)-3-oxo-1-phenylprop-1-enyl]-triphenylphosphanium perchlorate Traditional Name: [(Z)-2-benzamido-3-(2,4-dinitroanilino)-3-keto-1-phenyl-prop-1-enyl]-triphenyl-phosphonium perchlorate Formula: C40H30ClN4O10P MolecularWeight: 793.113761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(\C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/NC(=O)C3=CC=CC=C3)/[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C40H29N4O6P.ClHO4/c45-39(30-18-8-2-9-19-30)42-37(40(46)41-35-27-26-31(43(47)48)28-36(35)44(49)50)38(29-16-6-1-7-17-29)51(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34;2-1(3,4)5/h1-28H,(H-,41,42,45,46);(H,2,3,4,5)/b38-37-;