zinc [3-[10,20-diphenyl-15-[3-(thiocyanatomethyl)phenyl]porphyrin-21,22-diid-5-yl]phenyl]methyl thiocyanate

Systemtic Name: zinc [3-[10,20-diphenyl-15-[3-(thiocyanatomethyl)phenyl]porphyrin-21,22-diid-5-yl]phenyl]methyl thiocyanate Openeye Name: zinc [3-[10,20-diphenyl-15-[3-(thiocyanatomethyl)phenyl]porphyrin-21,22-diid-5-yl]phenyl]methyl thiocyanate CAS Name: zinc thiocyanic acid [3-[10,20-diphenyl-15-[3-(thiocyanatomethyl)phenyl]-5-porphyrin-21,22-diidyl]phenyl]methyl ester IUPAC Name: zinc [3-[10,20-diphenyl-15-[3-(thiocyanatomethyl)phenyl]porphyrin-21,22-diid-5-yl]phenyl]methyl thiocyanate Traditional Name: zinc thiocyanic acid [3-[10,20-diphenyl-15-[3-(thiocyanatomethyl)phenyl]porphine-21,22-diid-5-yl]benzyl] ester Formula: C48H30N6S2Zn MolecularWeight: 820.331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)CSC#N)C8=CC=CC=C8)C9=CC(=CC=C9)CSC#N)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)CSC#N)C8=CC=CC=C8)C9=CC(=CC=C9)CSC#N)[N-]3.[Zn+2]

InChI

InChI=1S/C48H30N6S2.Zn/c49-29-55-27-31-9-7-15-35(25-31)47-41-21-17-37(51-41)45(33-11-3-1-4-12-33)38-18-22-42(52-38)48(36-16-8-10-32(26-36)28-56-30-50)44-24-20-40(54-44)46(34-13-5-2-6-14-34)39-19-23-43(47)53-39;/h1-26H,27-28H2;/q-2;+2