zinc (Z)-ethoxy-[10,15,20-tris(ethoxycarbonyl)porphyrin-22-id-5-ylidene]methanolate

Systemtic Name: zinc (Z)-ethoxy-[10,15,20-tris(ethoxycarbonyl)porphyrin-22-id-5-ylidene]methanolate Openeye Name: zinc (Z)-ethoxy-[10,15,20-tris(ethoxycarbonyl)porphyrin-22-id-5-ylidene]methanolate CAS Name: zinc (Z)-ethoxy-[10,15,20-tris(ethoxycarbonyl)-5-porphyrin-22-idylidene]methanolate IUPAC Name: zinc (Z)-ethoxy-[10,15,20-tris(ethoxycarbonyl)porphyrin-22-id-5-ylidene]methanolate Traditional Name: zinc (Z)-ethoxy-(10,15,20-tricarbethoxyporphin-22-id-5-ylidene)methanolate Formula: C32H28N4O8Zn MolecularWeight: 661.99572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C([O-])OCC)C4=CC=C([N-]4)C(=C5C=CC1=N5)C(=O)OCC)C(=O)OCC.[Zn+2]

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=N2)C(=C3C=CC(=N3)/C(=C(/[O-])\OCC)/C4=CC=C([N-]4)C(=C5C=CC1=N5)C(=O)OCC)C(=O)OCC.[Zn+2]

InChI

InChI=1S/C32H30N4O8.Zn/c1-5-41-29(37)25-17-9-11-19(33-17)26(30(38)42-6-2)21-13-15-23(35-21)28(32(40)44-8-4)24-16-14-22(36-24)27(31(39)43-7-3)20-12-10-18(25)34-20;/h9-16H,5-8H2,1-4H3,(H2,33,34,35,36,37,38,39,40);/q;+2/p-2