3-sulfophthalate; titanium(2+)

Systemtic Name: 3-sulfophthalate; titanium(2+) Openeye Name: 3-sulfophthalate; titanium(2+) CAS Name: 3-sulfophthalate; titanium(2+) IUPAC Name: 3-sulfophthalate; titanium(2+) Traditional Name: 3-sulfophthalate; titanium(2+) Formula: C32H16O28S4Ti4 MolecularWeight: 1168.18064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)[O-])C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)[O-])C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)[O-])C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)[O-])C(=O)[O-].[Ti+2].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)[O-])C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)[O-])C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)[O-])C(=O)[O-].C1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)[O-])C(=O)[O-].[Ti+2].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/4C8H6O7S.4Ti/c4*9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12;;;;/h4*1-3H,(H,9,10)(H,11,12)(H,13,14,15);;;;/q;;;;4*+2/p-8