sodium bis[4-[3-(3,5-dimethoxyphenyl)propanoyl]-3-methoxy-phenyl] phosphate

Systemtic Name: sodium bis[4-[3-(3,5-dimethoxyphenyl)propanoyl]-3-methoxy-phenyl] phosphate Openeye Name: sodium bis[4-[3-(3,5-dimethoxyphenyl)propanoyl]-3-methoxy-phenyl] phosphate CAS Name: sodium bis[4-[3-(3,5-dimethoxyphenyl)-1-oxopropyl]-3-methoxyphenyl] phosphate IUPAC Name: sodium bis[4-[3-(3,5-dimethoxyphenyl)propanoyl]-3-methoxyphenyl] phosphate Traditional Name: sodium bis[4-[3-(3,5-dimethoxyphenyl)propanoyl]-3-methoxy-phenyl] phosphate Formula: C36H38NaO12P MolecularWeight: 716.643251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H39O12P.Na/c1-41-27-15-23(16-28(19-27)42-2)7-13-33(37)31-11-9-25(21-35(31)45-5)47-49(39,40)48-26-10-12-32(36(22-26)46-6)34(38)14-8-24-17-29(43-3)20-30(18-24)44-4;/h9-12,15-22H,7-8,13-14H2,1-6H3,(H,39,40);/q;+1/p-1