zinc 3,6-dimethyl-4-(10,15,20-triphenylporphyrin-5-yl)benzene-1,2-diolate

Systemtic Name: zinc 3,6-dimethyl-4-(10,15,20-triphenylporphyrin-5-yl)benzene-1,2-diolate Openeye Name: zinc 3,6-dimethyl-4-(10,15,20-triphenylporphyrin-5-yl)benzene-1,2-diolate CAS Name: zinc 3,6-dimethyl-4-(10,15,20-triphenyl-5-porphyrinyl)benzene-1,2-diolate IUPAC Name: zinc 3,6-dimethyl-4-(10,15,20-triphenylporphyrin-5-yl)benzene-1,2-diolate Traditional Name: zinc 3,6-dimethyl-4-(10,15,20-triphenylporphin-5-yl)benzene-1,2-diolate Formula: C46H30N4O2Zn MolecularWeight: 736.165

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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)C)[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)C)[O-])[O-].[Zn+2]

InChI

InChI=1S/C46H32N4O2.Zn/c1-27-26-32(28(2)46(52)45(27)51)44-39-24-22-37(49-39)42(30-14-8-4-9-15-30)35-20-18-33(47-35)41(29-12-6-3-7-13-29)34-19-21-36(48-34)43(31-16-10-5-11-17-31)38-23-25-40(44)50-38;/h3-26,51-52H,1-2H3;/q;+2/p-2