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

Systemtic Name: 2-(2-oxidanidyl-4-oxidanyl-phenyl)-4-oxidaniumylidene-3,7-bis(oxidanyl)chromen-5-olate; titanium Openeye Name: 3,7-dihydroxy-2-(4-hydroxy-2-oxido-phenyl)-4-oxoniumylidene-chromen-5-olate; titanium CAS Name: 3,7-dihydroxy-2-(4-hydroxy-2-oxidophenyl)-4-oxoniumylidene-1-benzopyran-5-olate; titanium IUPAC Name: 3,7-dihydroxy-2-(4-hydroxy-2-oxidophenyl)-4-oxoniumylidenechromen-5-olate; titanium Traditional Name: 3,7-dihydroxy-2-(4-hydroxy-2-oxido-phenyl)-4-oxoniumylidene-chromen-5-olate; titanium Formula: C30H18O14Ti-2 MolecularWeight: 650.32252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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;/p-2