zinc (1E)-1-[(10Z,15Z,19Z)-15-[2,7-bis(oxidanyl)naphthalen-1-yl]-2,3,7,8,12,13,17,18-octaethyl-21H-porphyrin-22,24-diid-5-ylidene]-7-oxidanyl-naphthalen-2-one

Systemtic Name: zinc (1E)-1-[(10Z,15Z,19Z)-15-[2,7-bis(oxidanyl)naphthalen-1-yl]-2,3,7,8,12,13,17,18-octaethyl-21H-porphyrin-22,24-diid-5-ylidene]-7-oxidanyl-naphthalen-2-one Openeye Name: zinc (1E)-1-[(10Z,15Z,19Z)-15-(2,7-dihydroxy-1-naphthyl)-2,3,7,8,12,13,17,18-octaethyl-21H-porphyrin-22,24-diid-5-ylidene]-7-hydroxy-naphthalen-2-one CAS Name: zinc (1E)-1-[(10Z,15Z,19Z)-15-(2,7-dihydroxy-1-naphthalenyl)-2,3,7,8,12,13,17,18-octaethyl-21H-porphyrin-22,24-diid-5-ylidene]-7-hydroxy-2-naphthalenone IUPAC Name: zinc (1E)-1-[(10Z,15Z,19Z)-15-(2,7-dihydroxynaphthalen-1-yl)-2,3,7,8,12,13,17,18-octaethyl-21H-porphyrin-22,24-diid-5-ylidene]-7-hydroxynaphthalen-2-one Traditional Name: zinc (1E)-1-[(10Z,15Z,19Z)-15-(2,7-dihydroxy-1-naphthyl)-2,3,7,8,12,13,17,18-octaethyl-21H-porphine-22,24-diid-5-ylidene]-7-hydroxy-naphthalen-2-one Formula: C56H56N4O4Zn MolecularWeight: 914.47724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=NC(=CC4=C(C(=C([N-]4)C(=C5C(=O)C=CC6=C5C=C(C=C6)O)C7=C(C(=C(N7)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)C8=C(C=CC9=C8C=C(C=C9)O)O)CC.[Zn+2]

Isomeric SMILES

CCC\1=C(/C/2=C(/C3=N/C(=C\C4=C(C(=C([N-]4)/C(=C/5\C(=O)C=CC6=C5C=C(C=C6)O)/C7=C(C(=C(N7)/C=C1\[N-]2)CC)CC)CC)CC)/C(=C3CC)CC)\C8=C(C=CC9=C8C=C(C=C9)O)O)CC.[Zn+2]

InChI

InChI=1S/C56H57N4O4.Zn/c1-9-33-37(13-5)53-51(49-41-25-31(61)21-17-29(41)19-23-47(49)63)54-39(15-7)35(11-3)45(59-54)28-46-36(12-4)40(16-8)56(60-46)52(50-42-26-32(62)22-18-30(42)20-24-48(50)64)55-38(14-6)34(10-2)44(58-55)27-43(33)57-53;/h17-28H,9-16H2,1-8H3,(H5-,57,58,59,60,61,62,63,64);/q-1;+2/p-1/b43-27-,44-27?,45-28-,46-28?,53-51-,54-51?,55-52?,56-52?;