copper 3,3-dimethyl-10,15-bis[2,3,4,5,6-pentakis(fluoranyl)phenyl]porphyrin-22,24-diid-2-one

Systemtic Name: copper 3,3-dimethyl-10,15-bis[2,3,4,5,6-pentakis(fluoranyl)phenyl]porphyrin-22,24-diid-2-one Openeye Name: copper 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diid-2-one CAS Name: copper 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)-2-porphyrin-22,24-diidone IUPAC Name: copper 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diid-2-one Traditional Name: cupric 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)porphine-22,24-diid-2-one Formula: C34H14CuF10N4O MolecularWeight: 748.031192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=CC(=N2)C1=O)[N-]5)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C.[Cu+2]

Isomeric SMILES

CC1(C2=CC3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=CC(=N2)C1=O)[N-]5)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C.[Cu+2]

InChI

InChI=1S/C34H15F10N4O.Cu/c1-34(2)18-10-12-4-6-14(46-12)20(22-25(37)29(41)32(44)30(42)26(22)38)16-8-7-15(47-16)19(21-23(35)27(39)31(43)28(40)24(21)36)13-5-3-11(45-13)9-17(48-18)33(34)49;/h3-10H,1-2H3,(H-,45,46,47,48,49);/q-1;+2/p-1