zinc (E)-[15-methanoyl-10,20-bis(4-methylphenyl)porphyrin-22-id-5-ylidene]methanolate

Systemtic Name: zinc (E)-[15-methanoyl-10,20-bis(4-methylphenyl)porphyrin-22-id-5-ylidene]methanolate Openeye Name: zinc (E)-[15-formyl-10,20-bis(p-tolyl)porphyrin-22-id-5-ylidene]methanolate CAS Name: zinc (E)-[15-formyl-10,20-bis(4-methylphenyl)-5-porphyrin-22-idylidene]methanolate IUPAC Name: zinc (E)-[15-formyl-10,20-bis(4-methylphenyl)porphyrin-22-id-5-ylidene]methanolate Traditional Name: zinc (E)-[15-formyl-10,20-bis(p-tolyl)porphin-22-id-5-ylidene]methanolate Formula: C36H24N4O2Zn MolecularWeight: 610.01036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=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=C(C=C7)C.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=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=C(C=C7)C.[Zn+2]

InChI

InChI=1S/C36H26N4O2.Zn/c1-21-3-7-23(8-4-21)35-31-15-11-27(37-31)25(19-41)29-13-17-33(39-29)36(24-9-5-22(2)6-10-24)34-18-14-30(40-34)26(20-42)28-12-16-32(35)38-28;/h3-20H,1-2H3,(H2,37,38,39,40,41,42);/q;+2/p-2