zinc (Z)-(12,12-dimethyl-20-phenyl-13H-porphyrin-21-id-5-ylidene)methanolate

Systemtic Name: zinc (Z)-(12,12-dimethyl-20-phenyl-13H-porphyrin-21-id-5-ylidene)methanolate Openeye Name: zinc (Z)-(12,12-dimethyl-20-phenyl-13H-porphyrin-21-id-5-ylidene)methanolate CAS Name: zinc (Z)-(12,12-dimethyl-20-phenyl-13H-porphyrin-21-id-5-ylidene)methanolate IUPAC Name: zinc (Z)-(12,12-dimethyl-20-phenyl-13H-porphyrin-21-id-5-ylidene)methanolate Traditional Name: zinc (Z)-(12,12-dimethyl-20-phenyl-13H-porphin-21-id-5-ylidene)methanolate Formula: C29H22N4OZn MolecularWeight: 507.92018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC3=NC(=C(C4=CC=C([N-]4)C(=C[O-])C5=NC(=CC1=N2)C=C5)C6=CC=CC=C6)C=C3)C.[Zn+2]

Isomeric SMILES

CC1(CC2=CC3=NC(=C(C4=CC=C([N-]4)/C(=C/[O-])/C5=NC(=CC1=N2)C=C5)C6=CC=CC=C6)C=C3)C.[Zn+2]

InChI

InChI=1S/C29H23N4O.Zn/c1-29(2)16-21-14-19-9-11-25(31-19)28(18-6-4-3-5-7-18)26-13-12-24(33-26)22(17-34)23-10-8-20(30-23)15-27(29)32-21;/h3-15,17H,16H2,1-2H3,(H-,30,31,32,33,34);/q-1;+2/p-1