sodium bis[2-methoxy-4-[(E)-3-(2-nitrophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] phosphate

Systemtic Name: sodium bis[2-methoxy-4-[(E)-3-(2-nitrophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] phosphate Openeye Name: sodium bis[2-methoxy-4-[(E)-3-(2-nitrophenyl)-3-oxo-prop-1-enyl]phenyl] phosphate CAS Name: sodium bis[2-methoxy-4-[(E)-3-(2-nitrophenyl)-3-oxoprop-1-enyl]phenyl] phosphate IUPAC Name: sodium bis[2-methoxy-4-[(E)-3-(2-nitrophenyl)-3-oxoprop-1-enyl]phenyl] phosphate Traditional Name: sodium bis[4-[(E)-3-keto-3-(2-nitrophenyl)prop-1-enyl]-2-methoxy-phenyl] phosphate Formula: C32H24N2NaO12P MolecularWeight: 682.502691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2[N+](=O)[O-])OP(=O)([O-])OC3=C(C=C(C=C3)C=CC(=O)C4=CC=CC=C4[N+](=O)[O-])OC.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2[N+](=O)[O-])OP(=O)(OC3=C(C=C(C=C3)/C=C/C(=O)C4=CC=CC=C4[N+](=O)[O-])OC)[O-].[Na+]

InChI

InChI=1S/C32H25N2O12P.Na/c1-43-31-19-21(11-15-27(35)23-7-3-5-9-25(23)33(37)38)13-17-29(31)45-47(41,42)46-30-18-14-22(20-32(30)44-2)12-16-28(36)24-8-4-6-10-26(24)34(39)40;/h3-20H,1-2H3,(H,41,42);/q;+1/p-1/b15-11+,16-12+;