2-(2-oxidanidyl-4-oxidanyl-phenyl)-3,7-bis(oxidanyl)-4-oxidanylidene-chromen-5-olate; titanium(4+)

Systemtic Name: 2-(2-oxidanidyl-4-oxidanyl-phenyl)-3,7-bis(oxidanyl)-4-oxidanylidene-chromen-5-olate; titanium(4+) Openeye Name: 3,7-dihydroxy-2-(4-hydroxy-2-oxido-phenyl)-4-oxo-chromen-5-olate; titanium(4+) CAS Name: 3,7-dihydroxy-2-(4-hydroxy-2-oxidophenyl)-4-oxo-1-benzopyran-5-olate; titanium(4+) IUPAC Name: 3,7-dihydroxy-2-(4-hydroxy-2-oxidophenyl)-4-oxochromen-5-olate; titanium(4+) Traditional Name: 3,7-dihydroxy-2-(4-hydroxy-2-oxido-phenyl)-4-keto-chromen-5-olate; titanium(4+) Formula: C30H16O14Ti MolecularWeight: 648.30664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)[O-])C2=C(C(=O)C3=C(O2)C=C(C=C3[O-])O)O.C1=CC(=C(C=C1O)[O-])C2=C(C(=O)C3=C(O2)C=C(C=C3[O-])O)O.[Ti+4]

Isomeric SMILES

C1=CC(=C(C=C1O)[O-])C2=C(C(=O)C3=C(O2)C=C(C=C3[O-])O)O.C1=CC(=C(C=C1O)[O-])C2=C(C(=O)C3=C(O2)C=C(C=C3[O-])O)O.[Ti+4]

InChI

InChI=1S/2C15H10O7.Ti/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;;+4/p-4