sodium bis[4-[3-(2,4-dimethoxyphenyl)propanoyl]-3-methoxy-phenyl] phosphate

Systemtic Name: sodium bis[4-[3-(2,4-dimethoxyphenyl)propanoyl]-3-methoxy-phenyl] phosphate Openeye Name: sodium bis[4-[3-(2,4-dimethoxyphenyl)propanoyl]-3-methoxy-phenyl] phosphate CAS Name: sodium bis[4-[3-(2,4-dimethoxyphenyl)-1-oxopropyl]-3-methoxyphenyl] phosphate IUPAC Name: sodium bis[4-[3-(2,4-dimethoxyphenyl)propanoyl]-3-methoxyphenyl] phosphate Traditional Name: sodium bis[4-[3-(2,4-dimethoxyphenyl)propanoyl]-3-methoxy-phenyl] phosphate Formula: C36H38NaO12P MolecularWeight: 716.643251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCC(=O)C2=C(C=C(C=C2)OP(=O)([O-])OC3=CC(=C(C=C3)C(=O)CCC4=C(C=C(C=C4)OC)OC)OC)OC)OC.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1)CCC(=O)C2=C(C=C(C=C2)OP(=O)([O-])OC3=CC(=C(C=C3)C(=O)CCC4=C(C=C(C=C4)OC)OC)OC)OC)OC.[Na+]

InChI

InChI=1S/C36H39O12P.Na/c1-41-25-11-7-23(33(19-25)43-3)9-17-31(37)29-15-13-27(21-35(29)45-5)47-49(39,40)48-28-14-16-30(36(22-28)46-6)32(38)18-10-24-8-12-26(42-2)20-34(24)44-4;/h7-8,11-16,19-22H,9-10,17-18H2,1-6H3,(H,39,40);/q;+1/p-1