zinc 3,3,7,8,12,13,17,18-octaethylporphyrin-23-id-2-olate

Systemtic Name: zinc 3,3,7,8,12,13,17,18-octaethylporphyrin-23-id-2-olate Openeye Name: zinc 3,3,7,8,12,13,17,18-octaethylporphyrin-23-id-2-olate CAS Name: zinc 3,3,7,8,12,13,17,18-octaethyl-2-porphyrin-23-idolate IUPAC Name: zinc 3,3,7,8,12,13,17,18-octaethylporphyrin-23-id-2-olate Traditional Name: zinc 3,3,7,8,12,13,17,18-octaethylporphin-23-id-2-olate Formula: C36H44N4OZn MolecularWeight: 614.16976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=NC(=C(C4(CC)CC)[O-])C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)C(=C3CC)CC)CC.[Zn+2]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=NC(=C(C4(CC)CC)[O-])C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)C(=C3CC)CC)CC.[Zn+2]

InChI

InChI=1S/C36H45N4O.Zn/c1-9-21-22(10-2)28-18-30-25(13-5)26(14-6)32(39-30)20-34-36(15-7,16-8)35(41)33(40-34)19-31-24(12-4)23(11-3)29(38-31)17-27(21)37-28;/h17-20H,9-16H2,1-8H3,(H-,37,38,39,40,41);/q-1;+2/p-1