zinc (4Z)-3-oxidanyl-4-[(1Z,10Z,14Z)-10,15,20-triphenyl-23H-porphyrin-22,24-diid-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: zinc (4Z)-3-oxidanyl-4-[(1Z,10Z,14Z)-10,15,20-triphenyl-23H-porphyrin-22,24-diid-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: zinc (4Z)-3-hydroxy-4-[(1Z,10Z,14Z)-10,15,20-triphenyl-23H-porphyrin-22,24-diid-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: zinc (4Z)-3-hydroxy-4-[(1Z,10Z,14Z)-10,15,20-triphenyl-23H-porphyrin-22,24-diid-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: zinc (4Z)-3-hydroxy-4-[(1Z,10Z,14Z)-10,15,20-triphenyl-23H-porphyrin-22,24-diid-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: zinc (4Z)-3-hydroxy-4-[(1Z,10Z,14Z)-10,15,20-triphenyl-23H-porphine-22,24-diid-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C44H28N4O2Zn MolecularWeight: 710.12772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=O)C=C5O)C6=NC(=C(C7=CC=C2[N-]7)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)N3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)/C/2=C/3\C=C/C(=C(/C4=CC=C([N-]4)/C(=C/5\C=CC(=O)C=C5O)/C6=N/C(=C(\C7=CC=C2[N-]7)/C8=CC=CC=C8)/C=C6)\C9=CC=CC=C9)/N3.[Zn+2]

InChI

InChI=1S/C44H29N4O2.Zn/c49-30-16-17-31(40(50)26-30)44-38-24-22-36(47-38)42(28-12-6-2-7-13-28)34-20-18-32(45-34)41(27-10-4-1-5-11-27)33-19-21-35(46-33)43(29-14-8-3-9-15-29)37-23-25-39(44)48-37;/h1-26H,(H3-,45,46,47,48,49,50);/q-1;+2/p-1/b41-32-,41-33?,42-34-,42-36?,43-35?,43-37-,44-38?,44-39?;