zinc S-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]methyl] ethanethioate

Systemtic Name: zinc S-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]methyl] ethanethioate Openeye Name: zinc S-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]methyl] ethanethioate CAS Name: zinc ethanethioic acid S-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)-5-porphyrin-23,24-diidyl]phenyl]methyl] ester IUPAC Name: zinc S-[[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]methyl] ethanethioate Traditional Name: zinc ethanethioic acid S-[4-(10,15,20-trimesitylporphine-23,24-diid-5-yl)benzyl] ester Formula: C56H50N4OSZn MolecularWeight: 892.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CSC(=O)C)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CSC(=O)C)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C56H50N4OS.Zn/c1-30-23-33(4)50(34(5)24-30)54-44-17-15-42(57-44)53(41-13-11-40(12-14-41)29-62-39(10)61)43-16-18-45(58-43)55(51-35(6)25-31(2)26-36(51)7)47-20-22-49(60-47)56(48-21-19-46(54)59-48)52-37(8)27-32(3)28-38(52)9;/h11-28H,29H2,1-10H3;/q-2;+2