zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-propan-2-yloxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-propan-2-yloxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-isopropoxy-1,4-benzoquinone CAS Name: zinc 2-(10,20-diphenyl-5-porphyrin-22,24-diidyl)-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione IUPAC Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione Traditional Name: zinc 2-(10,20-diphenylporphine-22,24-diid-5-yl)-3-isopropoxy-p-benzoquinone Formula: C41H28N4O3Zn MolecularWeight: 690.09502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C=CC1=O)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

Isomeric SMILES

CC(C)OC1=C(C(=O)C=CC1=O)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

InChI

InChI=1S/C41H30N4O3.Zn/c1-24(2)48-41-36(47)22-21-35(46)40(41)39-33-19-17-31(44-33)37(25-9-5-3-6-10-25)29-15-13-27(42-29)23-28-14-16-30(43-28)38(26-11-7-4-8-12-26)32-18-20-34(39)45-32;/h3-24H,1-2H3,(H2,42,43,44,45,46,47);/q;+2/p-2