[(Z)-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-1,3-diphenyl-prop-1-enyl] 4-bromanylbenzoate

Systemtic Name: [(Z)-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-1,3-diphenyl-prop-1-enyl] 4-bromanylbenzoate Openeye Name: [(Z)-2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenyl-prop-1-enyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(Z)-2-[(2-nitrophenyl)thio]-3-oxo-1,3-diphenylprop-1-enyl] ester IUPAC Name: [(Z)-2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenylprop-1-enyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(Z)-3-keto-2-[(2-nitrophenyl)thio]-1,3-diphenyl-prop-1-enyl] ester Formula: C28H18BrNO5S MolecularWeight: 560.41522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C(=O)C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(\C(=O)C2=CC=CC=C2)/SC3=CC=CC=C3[N+](=O)[O-])/OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H18BrNO5S/c29-22-17-15-21(16-18-22)28(32)35-26(20-11-5-2-6-12-20)27(25(31)19-9-3-1-4-10-19)36-24-14-8-7-13-23(24)30(33)34/h1-18H/b27-26-