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

Systemtic Name: zinc 3-[(E)-2-(10,20-diphenylporphyrin-5-yl)ethenyl]-4-propan-2-yloxy-cyclobuta-1,3-diene-1,2-diolate Openeye Name: zinc 3-[(E)-2-(10,20-diphenylporphyrin-5-yl)vinyl]-4-isopropoxy-cyclobuta-1,3-diene-1,2-diolate CAS Name: zinc 3-[(E)-2-(10,20-diphenyl-5-porphyrinyl)ethenyl]-4-propan-2-yloxycyclobuta-1,3-diene-1,2-diolate IUPAC Name: zinc 3-[(E)-2-(10,20-diphenylporphyrin-5-yl)ethenyl]-4-propan-2-yloxycyclobuta-1,3-diene-1,2-diolate Traditional Name: zinc 3-[(E)-2-(10,20-diphenylporphin-5-yl)vinyl]-4-isopropoxy-cyclobuta-1,3-diene-1,2-diolate Formula: C41H28N4O3Zn MolecularWeight: 690.09502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=C1[O-])[O-])C=CC2=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-])/C=C/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/C41H30N4O3.Zn/c1-24(2)48-41-30(39(46)40(41)47)16-15-29-31-19-21-35(44-31)37(25-9-5-3-6-10-25)33-17-13-27(42-33)23-28-14-18-34(43-28)38(26-11-7-4-8-12-26)36-22-20-32(29)45-36;/h3-24,46-47H,1-2H3;/q;+2/p-2/b16-15+,27-23?,28-23?,31-29?,32-29?,37-33?,37-35?,38-34?,38-36?;