phenanthrene-1-carboxylate; titanium(4+)

Systemtic Name: phenanthrene-1-carboxylate; titanium(4+) Openeye Name: phenanthrene-1-carboxylate; titanium(4+) CAS Name: 1-phenanthrenecarboxylate; titanium(4+) IUPAC Name: phenanthrene-1-carboxylate; titanium(4+) Traditional Name: phenanthrene-1-carboxylate; titanium(4+) Formula: C60H36O8Ti MolecularWeight: 932.79004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C(=O)[O-].C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C(=O)[O-].C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C(=O)[O-].C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C(=O)[O-].[Ti+4]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C(=O)[O-].C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C(=O)[O-].C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C(=O)[O-].C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C15H10O2.Ti/c4*16-15(17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14;/h4*1-9H,(H,16,17);/q;;;;+4/p-4