zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-5,6-dimethyl-3-propan-2-yloxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-5,6-dimethyl-3-propan-2-yloxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-isopropoxy-5,6-dimethyl-1,4-benzoquinone CAS Name: zinc 2-(10,20-diphenyl-5-porphyrin-22,24-diidyl)-5,6-dimethyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione IUPAC Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-5,6-dimethyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione Traditional Name: zinc 2-(10,20-diphenylporphine-22,24-diid-5-yl)-3-isopropoxy-5,6-dimethyl-p-benzoquinone Formula: C43H32N4O3Zn MolecularWeight: 718.14818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8)OC(C)C)C.[Zn+2]

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8)OC(C)C)C.[Zn+2]

InChI

InChI=1S/C43H34N4O3.Zn/c1-24(2)50-43-40(41(48)25(3)26(4)42(43)49)39-35-21-19-33(46-35)37(27-11-7-5-8-12-27)31-17-15-29(44-31)23-30-16-18-32(45-30)38(28-13-9-6-10-14-28)34-20-22-36(39)47-34;/h5-24H,1-4H3,(H2,44,45,46,47,48,49);/q;+2/p-2