2-carboxy-5-sulfonato-benzoate; titanium(4+)

Systemtic Name: 2-carboxy-5-sulfonato-benzoate; titanium(4+) Openeye Name: 2-carboxy-5-sulfonato-benzoate; titanium(4+) CAS Name: 2-carboxy-5-sulfonatobenzoate; titanium(4+) IUPAC Name: 2-carboxy-5-sulfonatobenzoate; titanium(4+) Traditional Name: 2-carboxy-5-sulfonato-benzoate; titanium(4+) Formula: C16H8O14S2Ti MolecularWeight: 536.22332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)O.C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)O.[Ti+4]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)O.C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)O.[Ti+4]

InChI

InChI=1S/2C8H6O7S.Ti/c2*9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;/h2*1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;;+4/p-4