[3-oxidaniumyl-4-[3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-2-yl]phenyl]oxidanium; titanium

Systemtic Name: [3-oxidaniumyl-4-[3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-2-yl]phenyl]oxidanium; titanium Openeye Name: [3-oxonio-4-(3,5,7-trihydroxy-4-oxo-chromen-2-yl)phenyl]oxonium; titanium CAS Name: [3-oxonio-4-(3,5,7-trihydroxy-4-oxo-1-benzopyran-2-yl)phenyl]oxonium; titanium IUPAC Name: [3-oxonio-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenyl]oxidanium; titanium Traditional Name: [3-oxonio-4-(3,5,7-trihydroxy-4-keto-chromen-2-yl)phenyl]oxonium; titanium Formula: C15H12O7Ti+2 MolecularWeight: 352.11858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[OH2+])[OH2+])C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O.[Ti]

Isomeric SMILES

C1=CC(=C(C=C1[OH2+])[OH2+])C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O.[Ti]

InChI

InChI=1S/C15H10O7.Ti/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15;/h1-5,16-19,21H;/p+2