zinc 3,3-dimethyl-10-(4-methylphenyl)-15-methylsulfonyl-2H-porphyrin-22,23-diide

Systemtic Name: zinc 3,3-dimethyl-10-(4-methylphenyl)-15-methylsulfonyl-2H-porphyrin-22,23-diide Openeye Name: zinc 3,3-dimethyl-15-methylsulfonyl-10-(p-tolyl)-2H-porphyrin-22,23-diide CAS Name: zinc 3,3-dimethyl-10-(4-methylphenyl)-15-methylsulfonyl-2H-porphyrin-22,23-diide IUPAC Name: zinc 3,3-dimethyl-10-(4-methylphenyl)-15-methylsulfonyl-2H-porphyrin-22,23-diide Traditional Name: zinc 15-mesyl-3,3-dimethyl-10-(p-tolyl)-2H-porphine-22,23-diide Formula: C30H26N4O2SZn MolecularWeight: 572.02704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)S(=O)(=O)C)C=C5)CC4(C)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)S(=O)(=O)C)C=C5)CC4(C)C)[N-]3.[Zn+2]

InChI

InChI=1S/C30H26N4O2S.Zn/c1-18-5-7-19(8-6-18)28-23-11-9-21(31-23)16-27-30(2,3)17-22(33-27)15-20-10-12-25(32-20)29(37(4,35)36)26-14-13-24(28)34-26;/h5-16H,17H2,1-4H3;/q-2;+2