cobalt(2+); S-[5-[4-[10,15,20-tris[4-(5-ethanoylsulfanylpentyl)phenyl]porphyrin-22,23-diid-5-yl]phenyl]pentyl] ethanethioate

Systemtic Name: cobalt(2+); S-[5-[4-[10,15,20-tris[4-(5-ethanoylsulfanylpentyl)phenyl]porphyrin-22,23-diid-5-yl]phenyl]pentyl] ethanethioate Openeye Name: cobaltous S-[5-[4-[10,15,20-tris[4-(5-acetylsulfanylpentyl)phenyl]porphyrin-22,23-diid-5-yl]phenyl]pentyl] ethanethioate CAS Name: cobalt(2+); ethanethioic acid S-[5-[4-[10,15,20-tris[4-[5-(acetylthio)pentyl]phenyl]-5-porphyrin-22,23-diidyl]phenyl]pentyl] ester IUPAC Name: cobalt(2+); S-[5-[4-[10,15,20-tris[4-(5-acetylsulfanylpentyl)phenyl]porphyrin-22,23-diid-5-yl]phenyl]pentyl] ethanethioate Traditional Name: cobaltous ethanethioic acid S-[5-[4-[10,15,20-tris[4-[5-(acetylthio)pentyl]phenyl]porphine-22,23-diid-5-yl]phenyl]pentyl] ester Formula: C72H76CoN4O4S4 MolecularWeight: 1248.59144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CCCCCSC(=O)C)C8=CC=C(C=C8)CCCCCSC(=O)C)C9=CC=C(C=C9)CCCCCSC(=O)C)[N-]3.[Co+2]

Isomeric SMILES

CC(=O)SCCCCCC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CCCCCSC(=O)C)C8=CC=C(C=C8)CCCCCSC(=O)C)C9=CC=C(C=C9)CCCCCSC(=O)C)[N-]3.[Co+2]

InChI

InChI=1S/C72H76N4O4S4.Co/c1-49(77)81-45-13-5-9-17-53-21-29-57(30-22-53)69-61-37-39-63(73-61)70(58-31-23-54(24-32-58)18-10-6-14-46-82-50(2)78)65-41-43-67(75-65)72(60-35-27-56(28-36-60)20-12-8-16-48-84-52(4)80)68-44-42-66(76-68)71(64-40-38-62(69)74-64)59-33-25-55(26-34-59)19-11-7-15-47-83-51(3)79;/h21-44H,5-20,45-48H2,1-4H3;/q-2;+2