zinc S-[2,3,5,6-tetrakis(fluoranyl)-4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl] ethanethioate

Systemtic Name: zinc S-[2,3,5,6-tetrakis(fluoranyl)-4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl] ethanethioate Openeye Name: zinc S-[2,3,5,6-tetrafluoro-4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl] ethanethioate CAS Name: zinc ethanethioic acid S-[2,3,5,6-tetrafluoro-4-[10,15,20-tris(2,4,6-trimethylphenyl)-5-porphyrin-23,24-diidyl]phenyl] ester IUPAC Name: zinc S-[2,3,5,6-tetrafluoro-4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl] ethanethioate Traditional Name: zinc ethanethioic acid S-[2,3,5,6-tetrafluoro-4-(10,15,20-trimesitylporphine-23,24-diid-5-yl)phenyl] ester Formula: C55H44F4N4OSZn MolecularWeight: 950.431673

Click to see the large picture

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=C(C(=C(C(=C7F)F)SC(=O)C)F)F)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=C(C(=C(C(=C7F)F)SC(=O)C)F)F)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C55H44F4N4OS.Zn/c1-25-19-28(4)43(29(5)20-25)46-35-11-13-37(60-35)47(44-30(6)21-26(2)22-31(44)7)39-15-17-41(62-39)49(50-51(56)53(58)55(65-34(10)64)54(59)52(50)57)42-18-16-40(63-42)48(38-14-12-36(46)61-38)45-32(8)23-27(3)24-33(45)9;/h11-24H,1-10H3;/q-2;+2