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

Systemtic Name: zinc 3-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione Openeye Name: zinc 3-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-isopropoxy-cyclobut-3-ene-1,2-dione CAS Name: zinc 3-(10,20-diphenyl-5-porphyrin-22,24-diidyl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione IUPAC Name: zinc 3-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione Traditional Name: zinc 3-(10,20-diphenylporphine-22,24-diid-5-yl)-4-isopropoxy-cyclobut-3-ene-1,2-quinone Formula: C39H26N4O3Zn MolecularWeight: 664.05774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1=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)C1=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/C39H28N4O3.Zn/c1-22(2)46-39-36(37(44)38(39)45)35-31-19-17-29(42-31)33(23-9-5-3-6-10-23)27-15-13-25(40-27)21-26-14-16-28(41-26)34(24-11-7-4-8-12-24)30-18-20-32(35)43-30;/h3-22H,1-2H3,(H2,40,41,42,43,44,45);/q;+2/p-2