zinc S-[4-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-23,24-diid-5-yl]phenyl] ethanethioate

Systemtic Name: zinc S-[4-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-23,24-diid-5-yl]phenyl] ethanethioate Openeye Name: zinc S-[4-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-23,24-diid-5-yl]phenyl] ethanethioate CAS Name: zinc ethanethioic acid S-[4-[10,20-diheptyl-15-(1-methyl-2-imidazolyl)-5-porphyrin-23,24-diidyl]phenyl] ester IUPAC Name: zinc S-[4-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-23,24-diid-5-yl]phenyl] ethanethioate Traditional Name: zinc ethanethioic acid S-[4-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphine-23,24-diid-5-yl]phenyl] ester Formula: C46H50N6OSZn MolecularWeight: 800.4028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=C(C=C6)SC(=O)C)CCCCCCC)C7=NC=CN7C)[N-]2.[Zn+2]

Isomeric SMILES

CCCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=C(C=C6)SC(=O)C)CCCCCCC)C7=NC=CN7C)[N-]2.[Zn+2]

InChI

InChI=1S/C46H50N6OS.Zn/c1-5-7-9-11-13-15-34-36-21-25-40(48-36)44(32-17-19-33(20-18-32)54-31(3)53)41-26-22-37(49-41)35(16-14-12-10-8-6-2)39-24-28-43(51-39)45(42-27-23-38(34)50-42)46-47-29-30-52(46)4;/h17-30H,5-16H2,1-4H3;/q-2;+2