calcium 2-[2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-olate

Systemtic Name: calcium 2-[2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-olate Openeye Name: calcium 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-olate CAS Name: calcium 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-olate IUPAC Name: calcium 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-olate Traditional Name: calcium 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-olate Formula: C30H18CaO14 MolecularWeight: 642.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-].C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-].[Ca+2]

Isomeric SMILES

C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-].C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-].[Ca+2]

InChI

InChI=1S/2C15H10O7.Ca/c2*16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15;/h2*1-5,16-19,21H;/q;;+2/p-2