ethanoic acid; manganese(3+); methyl 3-[(1Z,4Z,10Z,14Z)-8,13-bis(ethenyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,22,23,24-tetraid-2-yl]propanoate

Systemtic Name: ethanoic acid; manganese(3+); methyl 3-[(1Z,4Z,10Z,14Z)-8,13-bis(ethenyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,22,23,24-tetraid-2-yl]propanoate Openeye Name: manganic; acetic acid; methyl 3-[(1Z,4Z,10Z,14Z)-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-8,13-divinyl-porphyrin-21,22,23,24-tetraid-2-yl]propanoate CAS Name: acetic acid; 3-[(1Z,4Z,10Z,14Z)-8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-2-porphyrin-21,22,23,24-tetraidyl]propanoic acid methyl ester; manganese(3+) IUPAC Name: acetic acid; manganese(3+); methyl 3-[(1Z,4Z,10Z,14Z)-8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,22,23,24-tetraid-2-yl]propanoate Traditional Name: manganic; acetic acid; 3-[(1Z,4Z,10Z,14Z)-18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-8,13-divinyl-porphine-21,22,23,24-tetraid-2-yl]propionic acid methyl ester Formula: C38H40MnN4O6- MolecularWeight: 703.685449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=C(C(=C([N-]5)C=C1[N-]2)C)C=C)[N-]4)C)C=C)C)CCC(=O)OC)CCC(=O)OC.CC(=O)O.[Mn+3]

Isomeric SMILES

CC\1=C(/C/2=C/C3=C(C(=C([N-]3)/C=C\4/C(=C(/C(=C/C5=C(C(=C([N-]5)/C=C1\[N-]2)C)C=C)/[N-]4)C)C=C)C)CCC(=O)OC)CCC(=O)OC.CC(=O)O.[Mn+3]

InChI

InChI=1S/C36H36N4O4.C2H4O2.Mn/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27;1-2(3)4;/h9-10,15-18H,1-2,11-14H2,3-8H3;1H3,(H,3,4);/q-4;;+3/b27-15?,28-15-,29-16-,30-17?,31-16?,32-17-,33-18-,34-18?;;