2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate; 8-oxidanidylquinoline-5-sulfonate; titanium(4+)

Systemtic Name: 2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate; 8-oxidanidylquinoline-5-sulfonate; titanium(4+) Openeye Name: 2,2-dimethyl-6-oxo-1,3-dioxin-4-olate; 8-oxidoquinoline-5-sulfonate; titanium(4+) CAS Name: 2,2-dimethyl-6-oxo-1,3-dioxin-4-olate; 8-oxido-5-quinolinesulfonate; titanium(4+) IUPAC Name: 2,2-dimethyl-6-oxo-1,3-dioxin-4-olate; 8-oxidoquinoline-5-sulfonate; titanium(4+) Traditional Name: 6-keto-2,2-dimethyl-1,3-dioxin-4-olate; 8-oxidoquinoline-5-sulfonate; titanium(4+) Formula: C30H24N2O16S2Ti-2 MolecularWeight: 780.51236

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=CC(=O)O1)[O-])C.CC1(OC(=CC(=O)O1)[O-])C.C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].[Ti+4]

Isomeric SMILES

CC1(OC(=CC(=O)O1)[O-])C.CC1(OC(=CC(=O)O1)[O-])C.C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].[Ti+4]

InChI

InChI=1S/2C9H7NO4S.2C6H8O4.Ti/c2*11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;2*1-6(2)9-4(7)3-5(8)10-6;/h2*1-5,11H,(H,12,13,14);2*3,7H,1-2H3;/q;;;;+4/p-6