dicalcium 2-[2-oxidanidyl-3-(2-oxidanidylphenoxy)phenoxy]-6-(2-oxidanidylphenoxy)phenolate

Systemtic Name: dicalcium 2-[2-oxidanidyl-3-(2-oxidanidylphenoxy)phenoxy]-6-(2-oxidanidylphenoxy)phenolate Openeye Name: dicalcium 2-[2-oxido-3-(2-oxidophenoxy)phenoxy]-6-(2-oxidophenoxy)phenolate CAS Name: dicalcium 2-[2-oxido-3-(2-oxidophenoxy)phenoxy]-6-(2-oxidophenoxy)phenolate IUPAC Name: dicalcium 2-[2-oxido-3-(2-oxidophenoxy)phenoxy]-6-(2-oxidophenoxy)phenolate Traditional Name: dicalcium 2-[2-oxido-3-(2-oxidophenoxy)phenoxy]-6-(2-oxidophenoxy)phenolate Formula: C24H14Ca2O7 MolecularWeight: 494.51976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[O-])OC2=C(C(=CC=C2)OC3=CC=CC(=C3[O-])OC4=CC=CC=C4[O-])[O-].[Ca+2].[Ca+2]

Isomeric SMILES

C1=CC=C(C(=C1)[O-])OC2=C(C(=CC=C2)OC3=CC=CC(=C3[O-])OC4=CC=CC=C4[O-])[O-].[Ca+2].[Ca+2]

InChI

InChI=1S/C24H18O7.2Ca/c25-15-7-1-3-9-17(15)29-19-11-5-13-21(23(19)27)31-22-14-6-12-20(24(22)28)30-18-10-4-2-8-16(18)26;;/h1-14,25-28H;;/q;2*+2/p-4