naphthalene-1,3,7-tricarboxylate; titanium(2+)

Systemtic Name: naphthalene-1,3,7-tricarboxylate; titanium(2+) Openeye Name: naphthalene-1,3,7-tricarboxylate; titanium(2+) CAS Name: naphthalene-1,3,7-tricarboxylate; titanium(2+) IUPAC Name: naphthalene-1,3,7-tricarboxylate; titanium(2+) Traditional Name: naphthalene-1,3,7-tricarboxylate; titanium(2+) Formula: C26H10O12Ti3 MolecularWeight: 657.9514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=CC(=CC2=C(C=C(C=C21)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=CC(=CC2=C(C=C(C=C21)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/2C13H8O6.3Ti/c2*14-11(15)7-2-1-6-3-8(12(16)17)5-10(13(18)19)9(6)4-7;;;/h2*1-5H,(H,14,15)(H,16,17)(H,18,19);;;/q;;3*+2/p-6