zinc 3-(15-bromanyl-10,20-diphenyl-porphyrin-5-yl)-4-propan-2-yloxy-cyclobuta-1,3-diene-1,2-diolate

Systemtic Name: zinc 3-(15-bromanyl-10,20-diphenyl-porphyrin-5-yl)-4-propan-2-yloxy-cyclobuta-1,3-diene-1,2-diolate Openeye Name: zinc 3-(15-bromo-10,20-diphenyl-porphyrin-5-yl)-4-isopropoxy-cyclobuta-1,3-diene-1,2-diolate CAS Name: zinc 3-(15-bromo-10,20-diphenyl-5-porphyrinyl)-4-propan-2-yloxycyclobuta-1,3-diene-1,2-diolate IUPAC Name: zinc 3-(15-bromo-10,20-diphenylporphyrin-5-yl)-4-propan-2-yloxycyclobuta-1,3-diene-1,2-diolate Traditional Name: zinc 3-(15-bromo-10,20-diphenyl-porphin-5-yl)-4-isopropoxy-cyclobuta-1,3-diene-1,2-diolate Formula: C39H25BrN4O3Zn MolecularWeight: 742.9538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=C1[O-])[O-])C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)C8=CC=CC=C8.[Zn+2]

Isomeric SMILES

CC(C)OC1=C(C(=C1[O-])[O-])C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)C8=CC=CC=C8.[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;/h3-21,45-46H,1-2H3;/q;+2/p-2