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

Systemtic Name: zinc S-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]ethyl] ethanethioate Openeye Name: zinc S-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]ethyl] ethanethioate CAS Name: zinc ethanethioic acid S-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)-5-porphyrin-23,24-diidyl]phenyl]ethyl] ester IUPAC Name: zinc S-[2-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]ethyl] ethanethioate Traditional Name: zinc ethanethioic acid S-[2-[4-(10,15,20-trimesitylporphine-23,24-diid-5-yl)phenyl]ethyl] ester Formula: C57H52N4OSZn MolecularWeight: 906.52298

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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)CCSC(=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)CCSC(=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/C57H52N4OS.Zn/c1-31-25-34(4)51(35(5)26-31)55-45-17-15-43(58-45)54(42-13-11-41(12-14-42)23-24-63-40(10)62)44-16-18-46(59-44)56(52-36(6)27-32(2)28-37(52)7)48-20-22-50(61-48)57(49-21-19-47(55)60-49)53-38(8)29-33(3)30-39(53)9;/h11-22,25-30H,23-24H2,1-10H3;/q-2;+2