zinc (E)-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22-id-5-ylidene]methanolate

Systemtic Name: zinc (E)-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22-id-5-ylidene]methanolate Openeye Name: zinc (E)-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22-id-5-ylidene]methanolate CAS Name: zinc (E)-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-22-idylidene]methanolate IUPAC Name: zinc (E)-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22-id-5-ylidene]methanolate Traditional Name: zinc (E)-[10,20-dimesityl-15-(4-methylolphenyl)porphin-22-id-5-ylidene]methanolate Formula: C46H38N4O2Zn MolecularWeight: 744.22852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=N3)C(=C[O-])C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CO)C8=C(C=C(C=C8C)C)C)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=N3)/C(=C/[O-])/C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CO)C8=C(C=C(C=C8C)C)C)C.[Zn+2]

InChI

InChI=1S/C46H39N4O2.Zn/c1-25-19-27(3)42(28(4)20-25)45-38-13-11-34(47-38)33(24-52)35-12-14-39(48-35)46(43-29(5)21-26(2)22-30(43)6)41-18-16-37(50-41)44(36-15-17-40(45)49-36)32-9-7-31(23-51)8-10-32;/h7-22,24,51H,23H2,1-6H3,(H-,47,48,49,50,52);/q-1;+2/p-1