zinc (E,3Z)-3-[10,20-bis(3,5-ditert-butylphenyl)-15-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]porphyrin-22-id-5-ylidene]-1-methoxy-prop-1-en-1-olate

Systemtic Name: zinc (E,3Z)-3-[10,20-bis(3,5-ditert-butylphenyl)-15-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]porphyrin-22-id-5-ylidene]-1-methoxy-prop-1-en-1-olate Openeye Name: zinc (E,3Z)-3-[10,20-bis(3,5-ditert-butylphenyl)-15-[(E)-3-methoxy-3-oxo-prop-1-enyl]porphyrin-22-id-5-ylidene]-1-methoxy-prop-1-en-1-olate CAS Name: zinc (E,3Z)-3-[10,20-bis(3,5-ditert-butylphenyl)-15-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-porphyrin-22-idylidene]-1-methoxy-1-propen-1-olate IUPAC Name: zinc (E,3Z)-3-[10,20-bis(3,5-ditert-butylphenyl)-15-[(E)-3-methoxy-3-oxoprop-1-enyl]porphyrin-22-id-5-ylidene]-1-methoxyprop-1-en-1-olate Traditional Name: zinc (E,3Z)-3-[10,20-bis(3,5-ditert-butylphenyl)-15-[(E)-3-keto-3-methoxy-prop-1-enyl]porphin-22-id-5-ylidene]-1-methoxy-prop-1-en-1-olate Formula: C56H60N4O4Zn MolecularWeight: 918.509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H62N4O4.Zn/c1-53(2,3)35-27-33(28-36(31-35)54(4,5)6)51-45-21-17-41(57-45)39(15-25-49(61)63-13)43-19-23-47(59-43)52(34-29-37(55(7,8)9)32-38(30-34)56(10,11)12)48-24-20-44(60-48)40(16-26-50(62)64-14)42-18-22-46(51)58-42;/h15-32H,1-14H3,(H2,57,58,59,60,61,62);/q;+2/p-2