platinum(2+); [4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl] 2-methylbutanoate

Systemtic Name: platinum(2+); [4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl] 2-methylbutanoate Openeye Name: platinum(2+); [4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-(10,15,20-triphenyl-5-porphyrin-22,24-diidyl)phenyl] ester; platinum(2+) IUPAC Name: platinum(2+); [4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(10,15,20-triphenylporphine-22,24-diid-5-yl)phenyl] ester; platinum(2+) Formula: C49H36N4O2Pt MolecularWeight: 907.91374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Pt+2]

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Pt+2]

InChI

InChI=1S/C49H36N4O2.Pt/c1-3-31(2)49(54)55-36-21-19-35(20-22-36)48-43-29-27-41(52-43)46(33-15-9-5-10-16-33)39-25-23-37(50-39)45(32-13-7-4-8-14-32)38-24-26-40(51-38)47(34-17-11-6-12-18-34)42-28-30-44(48)53-42;/h4-31H,3H2,1-2H3;/q-2;+2