3,7,8,12,13,17,18-heptaethylporphyrin-22,24-diide-2-carbaldehyde; platinum(2+)

Systemtic Name: 3,7,8,12,13,17,18-heptaethylporphyrin-22,24-diide-2-carbaldehyde; platinum(2+) Openeye Name: 3,7,8,12,13,17,18-heptaethylporphyrin-22,24-diide-2-carbaldehyde; platinum(2+) CAS Name: 3,7,8,12,13,17,18-heptaethyl-2-porphyrin-22,24-diidecarboxaldehyde; platinum(2+) IUPAC Name: 3,7,8,12,13,17,18-heptaethylporphyrin-22,24-diide-2-carbaldehyde; platinum(2+) Traditional Name: 3,7,8,12,13,17,18-heptaethylporphine-22,24-diide-2-carbaldehyde; platinum(2+) Formula: C35H40N4OPt MolecularWeight: 727.7963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3C=O)CC)CC.[Pt+2]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3C=O)CC)CC.[Pt+2]

InChI

InChI=1S/C35H41N4O.Pt/c1-8-20-21(9-2)29-16-31-24(12-5)25(13-6)33(38-31)18-35-27(19-40)26(14-7)34(39-35)17-32-23(11-4)22(10-3)30(37-32)15-28(20)36-29;/h15-19H,8-14H2,1-7H3,(H-,36,37,38,39,40);/q-1;+2/p-1