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

Systemtic Name: sodium bis[4-[3-(3,5-dimethoxyphenyl)propanoyl]-3-methyl-phenyl] phosphate Openeye Name: sodium bis[4-[3-(3,5-dimethoxyphenyl)propanoyl]-3-methyl-phenyl] phosphate CAS Name: sodium bis[4-[3-(3,5-dimethoxyphenyl)-1-oxopropyl]-3-methylphenyl] phosphate IUPAC Name: sodium bis[4-[3-(3,5-dimethoxyphenyl)propanoyl]-3-methylphenyl] phosphate Traditional Name: sodium bis[4-[3-(3,5-dimethoxyphenyl)propanoyl]-3-methyl-phenyl] phosphate Formula: C36H38NaO10P MolecularWeight: 684.644451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OP(=O)([O-])OC2=CC(=C(C=C2)C(=O)CCC3=CC(=CC(=C3)OC)OC)C)C(=O)CCC4=CC(=CC(=C4)OC)OC.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)OP(=O)([O-])OC2=CC(=C(C=C2)C(=O)CCC3=CC(=CC(=C3)OC)OC)C)C(=O)CCC4=CC(=CC(=C4)OC)OC.[Na+]

InChI

InChI=1S/C36H39O10P.Na/c1-23-15-27(9-11-33(23)35(37)13-7-25-17-29(41-3)21-30(18-25)42-4)45-47(39,40)46-28-10-12-34(24(2)16-28)36(38)14-8-26-19-31(43-5)22-32(20-26)44-6;/h9-12,15-22H,7-8,13-14H2,1-6H3,(H,39,40);/q;+1/p-1