22,23-dihydroporphyrin-2,3,5,7-tetracarboxylic acid; titanium(2+)

Systemtic Name: 22,23-dihydroporphyrin-2,3,5,7-tetracarboxylic acid; titanium(2+) Openeye Name: 22,23-dihydroporphyrin-2,3,5,7-tetracarboxylic acid; titanium(2+) CAS Name: 22,23-dihydroporphyrin-2,3,5,7-tetracarboxylic acid; titanium(2+) IUPAC Name: 22,23-dihydroporphyrin-2,3,5,7-tetracarboxylic acid; titanium(2+) Traditional Name: 22,23-dihydroporphine-2,3,5,7-tetracarboxylic acid; titanium(2+) Formula: C24H14N4O8Ti+2 MolecularWeight: 534.25696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=CC(=C(N3)C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C1N2)C(=O)O)C(=O)O)C(=O)O)C(=O)O.[Ti+2]

Isomeric SMILES

C1=CC2=CC3=CC(=C(N3)C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C1N2)C(=O)O)C(=O)O)C(=O)O)C(=O)O.[Ti+2]

InChI

InChI=1S/C24H14N4O8.Ti/c29-21(30)14-7-13-6-11-2-1-9(25-11)5-10-3-4-12(26-10)8-15-16(22(31)32)17(23(33)34)20(28-15)18(24(35)36)19(14)27-13;/h1-8,25,27H,(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+2