zinc 3,3-dimethyl-10,15-bis[2,3,4,5,6-pentakis(fluoranyl)phenyl]porphyrin-23-id-2-olate

Systemtic Name: zinc 3,3-dimethyl-10,15-bis[2,3,4,5,6-pentakis(fluoranyl)phenyl]porphyrin-23-id-2-olate Openeye Name: zinc 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)porphyrin-23-id-2-olate CAS Name: zinc 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)-2-porphyrin-23-idolate IUPAC Name: zinc 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)porphyrin-23-id-2-olate Traditional Name: zinc 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)porphin-23-id-2-olate Formula: C34H14F10N4OZn MolecularWeight: 749.894192

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=NC(=C1[O-])C=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C2)C=C5)C6=C(C(=C(C(=C6F)F)F)F)F)[N-]4)C7=C(C(=C(C(=C7F)F)F)F)F)C.[Zn+2]

Isomeric SMILES

CC1(C2=NC(=C1[O-])C=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C2)C=C5)C6=C(C(=C(C(=C6F)F)F)F)F)[N-]4)C7=C(C(=C(C(=C7F)F)F)F)F)C.[Zn+2]

InChI

InChI=1S/C34H15F10N4O.Zn/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