zinc 3-(15-bromanyl-10,20-diphenyl-porphyrin-22,24-diid-5-yl)-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione

Systemtic Name: zinc 3-(15-bromanyl-10,20-diphenyl-porphyrin-22,24-diid-5-yl)-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione Openeye Name: zinc 3-(15-bromo-10,20-diphenyl-porphyrin-22,24-diid-5-yl)-4-isopropoxy-cyclobut-3-ene-1,2-dione CAS Name: zinc 3-(15-bromo-10,20-diphenyl-5-porphyrin-22,24-diidyl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione IUPAC Name: zinc 3-(15-bromo-10,20-diphenylporphyrin-22,24-diid-5-yl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione Traditional Name: zinc 3-(15-bromo-10,20-diphenyl-porphine-22,24-diid-5-yl)-4-isopropoxy-cyclobut-3-ene-1,2-quinone Formula: C39H25BrN4O3Zn MolecularWeight: 742.9538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1=O)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)C=C4)C8=CC=CC=C8)[N-]3.[Zn+2]

Isomeric SMILES

CC(C)OC1=C(C(=O)C1=O)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)C=C4)C8=CC=CC=C8)[N-]3.[Zn+2]

InChI

InChI=1S/C39H27BrN4O3.Zn/c1-21(2)47-39-35(37(45)38(39)46)34-28-15-13-24(41-28)32(22-9-5-3-6-10-22)26-17-19-30(43-26)36(40)31-20-18-27(44-31)33(23-11-7-4-8-12-23)25-14-16-29(34)42-25;/h3-21H,1-2H3,(H2,41,42,43,44,45,46);/q;+2/p-2