zinc 3-methyl-6-(10,15,20-triphenylporphyrin-5-yl)benzene-1,2-diolate

Systemtic Name: zinc 3-methyl-6-(10,15,20-triphenylporphyrin-5-yl)benzene-1,2-diolate Openeye Name: zinc 3-methyl-6-(10,15,20-triphenylporphyrin-5-yl)benzene-1,2-diolate CAS Name: zinc 3-methyl-6-(10,15,20-triphenyl-5-porphyrinyl)benzene-1,2-diolate IUPAC Name: zinc 3-methyl-6-(10,15,20-triphenylporphyrin-5-yl)benzene-1,2-diolate Traditional Name: zinc 3-methyl-6-(10,15,20-triphenylporphin-5-yl)benzene-1,2-diolate Formula: C45H28N4O2Zn MolecularWeight: 722.13842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[O-])[O-].[Zn+2]

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[O-])[O-].[Zn+2]

InChI

InChI=1S/C45H30N4O2.Zn/c1-27-17-18-31(45(51)44(27)50)43-38-25-23-36(48-38)41(29-13-7-3-8-14-29)34-21-19-32(46-34)40(28-11-5-2-6-12-28)33-20-22-35(47-33)42(30-15-9-4-10-16-30)37-24-26-39(43)49-37;/h2-26,50-51H,1H3;/q;+2/p-2