calcium [2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]phenyl] phosphate

Systemtic Name: calcium [2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]phenyl] phosphate Openeye Name: calcium [2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)oxazol-5-yl]phenyl] phosphate CAS Name: calcium [2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-5-oxazolyl]phenyl] phosphate IUPAC Name: calcium [2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]phenyl] phosphate Traditional Name: calcium [2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)oxazol-5-yl]phenyl] phosphate Formula: C19H18CaNO9P MolecularWeight: 475.399281

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N=CO2)C3=CC(=C(C(=C3)OC)OC)OC)OP(=O)([O-])[O-].[Ca+2]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N=CO2)C3=CC(=C(C(=C3)OC)OC)OC)OP(=O)([O-])[O-].[Ca+2]

InChI

InChI=1S/C19H20NO9P.Ca/c1-24-13-6-5-11(7-14(13)29-30(21,22)23)18-17(20-10-28-18)12-8-15(25-2)19(27-4)16(9-12)26-3;/h5-10H,1-4H3,(H2,21,22,23);/q;+2/p-2