zinc 12,18-bis(2-methoxy-2-oxidanylidene-ethyl)-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-3,3,7,8-tetramethyl-porphyrin-22-id-2-olate

Systemtic Name: zinc 12,18-bis(2-methoxy-2-oxidanylidene-ethyl)-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-3,3,7,8-tetramethyl-porphyrin-22-id-2-olate Openeye Name: zinc 12,18-bis(2-methoxy-2-oxo-ethyl)-13,17-bis(3-methoxy-3-oxo-propyl)-3,3,7,8-tetramethyl-porphyrin-22-id-2-olate CAS Name: zinc 12,18-bis(2-methoxy-2-oxoethyl)-13,17-bis(3-methoxy-3-oxopropyl)-3,3,7,8-tetramethyl-2-porphyrin-22-idolate IUPAC Name: zinc 12,18-bis(2-methoxy-2-oxoethyl)-13,17-bis(3-methoxy-3-oxopropyl)-3,3,7,8-tetramethylporphyrin-22-id-2-olate Traditional Name: zinc 12,18-bis(2-keto-2-methoxy-ethyl)-13,17-bis(3-keto-3-methoxy-propyl)-3,3,7,8-tetramethyl-porphin-22-id-2-olate Formula: C38H40N4O9Zn MolecularWeight: 762.1546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=C(C3(C)C)[O-])C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)CC(=O)OC)CCC(=O)OC)CCC(=O)OC)CC(=O)OC)C.[Zn+2]

Isomeric SMILES

CC1=C(C2=CC3=NC(=C(C3(C)C)[O-])C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)CC(=O)OC)CCC(=O)OC)CCC(=O)OC)CC(=O)OC)C.[Zn+2]

InChI

InChI=1S/C38H41N4O9.Zn/c1-19-20(2)26-18-32-38(3,4)37(47)31(42-32)17-30-24(14-36(46)51-8)22(10-12-34(44)49-6)28(41-30)16-27-21(9-11-33(43)48-5)23(13-35(45)50-7)29(40-27)15-25(19)39-26;/h15-18H,9-14H2,1-8H3,(H-,39,40,41,42,47);/q-1;+2/p-1