zinc [4-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: zinc [4-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: zinc [4-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: zinc [4-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-24-idylidene]-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: zinc [4-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: zinc [4-[10,20-dimesityl-15-(4-methylolphenyl)porphin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C52H42N4O2Zn MolecularWeight: 820.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=N3)C(=C4C=CC(=C[O-])C=C4)C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC2=N7)C8=CC=C(C=C8)CO)C9=C(C=C(C=C9C)C)C)C=C5)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=N3)C(=C4C=CC(=C[O-])C=C4)C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC2=N7)C8=CC=C(C=C8)CO)C9=C(C=C(C=C9C)C)C)C=C5)C.[Zn+2]

InChI

InChI=1S/C52H43N4O2.Zn/c1-29-23-31(3)47(32(4)24-29)51-43-19-15-39(53-43)49(37-11-7-35(27-57)8-12-37)41-17-21-45(55-41)52(48-33(5)25-30(2)26-34(48)6)46-22-18-42(56-46)50(40-16-20-44(51)54-40)38-13-9-36(28-58)10-14-38;/h7-27,58H,28H2,1-6H3,(H-,53,54,55,56,57);/q-1;+2/p-1