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zinc 5-[4-(2,4-dinitrophenyl)sulfanylphenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide
zinc 5-[4-(2,4-dinitrophenyl)sulfanylphenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])[N-]3)C.[Zn+2]
Isomeric SMILES
CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])[N-]3)C.[Zn+2]
InChI
InChI=1S/C59H48N6O4S.Zn/c1-31-24-34(4)53(35(5)25-31)57-45-17-15-43(60-45)56(40-10-13-42(14-11-40)70-52-23-12-41(64(66)67)30-51(52)65(68)69)44-16-18-46(61-44)58(54-36(6)26-32(2)27-37(54)7)48-20-22-50(63-48)59(49-21-19-47(57)62-49)55-38(8)28-33(3)29-39(55)9;/h10-30H,1-9H3;/q-2;+2
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