zinc (1Z)-1-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18H-porphyrin-22-id-2-ylidene]ethanolate

Systemtic Name: zinc (1Z)-1-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18H-porphyrin-22-id-2-ylidene]ethanolate Openeye Name: zinc (1Z)-1-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18H-porphyrin-22-id-2-ylidene]ethanolate CAS Name: zinc (1Z)-1-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18H-porphyrin-22-id-2-ylidene]ethanolate IUPAC Name: zinc (1Z)-1-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-18H-porphyrin-22-id-2-ylidene]ethanolate Traditional Name: zinc (1Z)-1-(5-mesityl-17,17-dimethyl-18H-porphin-22-id-2-ylidene)ethanolate Formula: C33H30N4OZn MolecularWeight: 564.0265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=NC(=CC5=NC(=CC6=NC2=CC6=C(C)[O-])CC5(C)C)C=C4)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=NC(=CC5=NC(=CC\6=NC2=C/C6=C(\C)/[O-])CC5(C)C)C=C4)[N-]3)C.[Zn+2]

InChI

InChI=1S/C33H31N4O.Zn/c1-18-11-19(2)31(20(3)12-18)32-27-10-9-23(35-27)13-22-7-8-24(34-22)15-30-33(5,6)17-25(36-30)14-28-26(21(4)38)16-29(32)37-28;/h7-16H,17H2,1-6H3,(H-,34,35,36,37,38);/q-1;+2/p-1