zinc 3-(10,20-diphenylporphyrin-5-yl)-4-propan-2-yloxy-cyclobuta-1,3-diene-1,2-diolate

Systemtic Name: zinc 3-(10,20-diphenylporphyrin-5-yl)-4-propan-2-yloxy-cyclobuta-1,3-diene-1,2-diolate Openeye Name: zinc 3-(10,20-diphenylporphyrin-5-yl)-4-isopropoxy-cyclobuta-1,3-diene-1,2-diolate CAS Name: zinc 3-(10,20-diphenyl-5-porphyrinyl)-4-propan-2-yloxycyclobuta-1,3-diene-1,2-diolate IUPAC Name: zinc 3-(10,20-diphenylporphyrin-5-yl)-4-propan-2-yloxycyclobuta-1,3-diene-1,2-diolate Traditional Name: zinc 3-(10,20-diphenylporphin-5-yl)-4-isopropoxy-cyclobuta-1,3-diene-1,2-diolate Formula: C39H26N4O3Zn MolecularWeight: 664.05774

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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)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)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;/h3-22,44-45H,1-2H3;/q;+2/p-2