copper (E)-[15-methanoyl-10,20-bis(3-methoxyphenyl)porphyrin-22-id-5-ylidene]methanolate

Systemtic Name: copper (E)-[15-methanoyl-10,20-bis(3-methoxyphenyl)porphyrin-22-id-5-ylidene]methanolate Openeye Name: copper (E)-[15-formyl-10,20-bis(3-methoxyphenyl)porphyrin-22-id-5-ylidene]methanolate CAS Name: copper (E)-[15-formyl-10,20-bis(3-methoxyphenyl)-5-porphyrin-22-idylidene]methanolate IUPAC Name: copper (E)-[15-formyl-10,20-bis(3-methoxyphenyl)porphyrin-22-id-5-ylidene]methanolate Traditional Name: cupric (E)-[15-formyl-10,20-bis(3-methoxyphenyl)porphin-22-id-5-ylidene]methanolate Formula: C36H24CuN4O4 MolecularWeight: 640.14616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C=CC(=N3)C(=C[O-])C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C=O)C7=CC(=CC=C7)OC.[Cu+2]

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C=CC(=N3)/C(=C/[O-])/C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C=O)C7=CC(=CC=C7)OC.[Cu+2]

InChI

InChI=1S/C36H26N4O4.Cu/c1-43-23-7-3-5-21(17-23)35-31-13-9-27(37-31)25(19-41)29-11-15-33(39-29)36(22-6-4-8-24(18-22)44-2)34-16-12-30(40-34)26(20-42)28-10-14-32(35)38-28;/h3-20H,1-2H3,(H2,37,38,39,40,41,42);/q;+2/p-2