zinc 3,3-dimethyl-10,15-bis[2,3,4,5,6-pentakis(fluoranyl)phenyl]-2H-porphyrin-22,23-diid-2-ol

Systemtic Name: zinc 3,3-dimethyl-10,15-bis[2,3,4,5,6-pentakis(fluoranyl)phenyl]-2H-porphyrin-22,23-diid-2-ol Openeye Name: zinc 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)-2H-porphyrin-22,23-diid-2-ol CAS Name: zinc 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)-2H-porphyrin-22,23-diid-2-ol IUPAC Name: zinc 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)-2H-porphyrin-22,23-diid-2-ol Traditional Name: zinc 3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)-2H-porphine-22,23-diid-2-ol Formula: C34H16F10N4OZn MolecularWeight: 751.910072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=CC1=N2)[N-]5)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C=C3)O)C.[Zn+2]

Isomeric SMILES

CC1(C(C2=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=CC1=N2)[N-]5)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C=C3)O)C.[Zn+2]

InChI

InChI=1S/C34H16F10N4O.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;/h3-10,33,49H,1-2H3;/q-2;+2