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zinc 5,15-bis(3,5-ditert-butylphenyl)-2-(trifluoromethyl)porphyrin-21,24-diide

zinc 5,15-bis(3,5-ditert-butylphenyl)-2-(trifluoromethyl)porphyrin-21,24-diide

Systemtic Name:zinc 5,15-bis(3,5-ditert-butylphenyl)-2-(trifluoromethyl)porphyrin-21,24-diide
Openeye Name:zinc 5,15-bis(3,5-ditert-butylphenyl)-2-(trifluoromethyl)porphyrin-21,24-diide
CAS Name:zinc 5,15-bis(3,5-ditert-butylphenyl)-2-(trifluoromethyl)porphyrin-21,24-diide
IUPAC Name:zinc 5,15-bis(3,5-ditert-butylphenyl)-2-(trifluoromethyl)porphyrin-21,24-diide
Traditional Name:zinc 5,15-bis(3,5-ditert-butylphenyl)-2-(trifluoromethyl)porphine-21,24-diide
Formula: C49H51F3N4Zn
MolecularWeight: 818.36025
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=C(C=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C(F)(F)F)[N-]3)C(C)(C)C.[Zn+2]


Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=C(C=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C(F)(F)F)[N-]3)C(C)(C)C.[Zn+2]


InChI

InChI=1S/C49H51F3N4.Zn/c1-45(2,3)30-19-28(20-31(23-30)46(4,5)6)43-38-16-13-34(53-38)25-35-14-17-40(54-35)44(29-21-32(47(7,8)9)24-33(22-29)48(10,11)12)42-27-37(49(50,51)52)41(56-42)26-36-15-18-39(43)55-36;/h13-27H,1-12H3;/q-2;+2


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