calcium 3-methoxy-6-(3,4,5-trimethoxyphenyl)carbonyl-benzene-1,2-diolate

Systemtic Name: calcium 3-methoxy-6-(3,4,5-trimethoxyphenyl)carbonyl-benzene-1,2-diolate Openeye Name: calcium 3-methoxy-6-(3,4,5-trimethoxybenzoyl)benzene-1,2-diolate CAS Name: calcium 3-methoxy-6-[oxo-(3,4,5-trimethoxyphenyl)methyl]benzene-1,2-diolate IUPAC Name: calcium 3-methoxy-6-(3,4,5-trimethoxybenzoyl)benzene-1,2-diolate Traditional Name: calcium 3-methoxy-6-(3,4,5-trimethoxybenzoyl)benzene-1,2-diolate Formula: C17H16CaO7 MolecularWeight: 372.38274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O7.Ca/c1-21-11-6-5-10(15(19)16(11)20)14(18)9-7-12(22-2)17(24-4)13(8-9)23-3;/h5-8,19-20H,1-4H3;/q;+2/p-2