magnesium [(E)-3,7,11,15-tetramethylhexadec-2-enyl] 3-[18-(butan-2-ylcarbamoyl)-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxidanylidene-ethyl)-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-22,24-diium-21,23-diid-2-yl]propanoate

Systemtic Name: magnesium [(E)-3,7,11,15-tetramethylhexadec-2-enyl] 3-[18-(butan-2-ylcarbamoyl)-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxidanylidene-ethyl)-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-22,24-diium-21,23-diid-2-yl]propanoate Openeye Name: magnesium [(E)-3,7,11,15-tetramethylhexadec-2-enyl] 3-[13-ethyl-20-(2-methoxy-2-oxo-ethyl)-3,7,12,17-tetramethyl-18-(sec-butylcarbamoyl)-8-vinyl-2,3-dihydroporphyrin-22,24-diium-21,23-diid-2-yl]propanoate CAS Name: magnesium 3-[18-[(butan-2-ylamino)-oxomethyl]-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-22,24-diium-21,23-diid-2-yl]propanoic acid [(E)-3,7,11,15-tetramethylhexadec-2-enyl] ester IUPAC Name: magnesium [(E)-3,7,11,15-tetramethylhexadec-2-enyl] 3-[18-(butan-2-ylcarbamoyl)-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-22,24-diium-21,23-diid-2-yl]propanoate Traditional Name: magnesium 3-[13-ethyl-20-(2-keto-2-methoxy-ethyl)-3,7,12,17-tetramethyl-18-(sec-butylcarbamoyl)-8-vinyl-2,3-dihydroporphine-22,24-diium-21,23-diid-2-yl]propionic acid [(E)-3,7,11,15-tetramethylhexadec-2-enyl] ester Formula: C59H85MgN5O5+2 MolecularWeight: 968.6417

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=[NH+]3)C(=C4C(C(C(=CC5=[NH+]C(=CC(=C1C)[N-]2)C(=C5C)C=C)[N-]4)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)CC(=O)OC)C(=O)NC(C)CC)C.[Mg+2]

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=[NH+]3)C(=C4C(C(C(=CC5=[NH+]C(=CC(=C1C)[N-]2)C(=C5C)C=C)[N-]4)C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)CC(=O)OC)C(=O)NC(C)CC)C.[Mg+2]

InChI

InChI=1S/C59H84N5O5.Mg/c1-15-39(9)60-59(67)56-43(13)51-34-53-45(17-3)41(11)49(62-53)33-52-44(16-2)40(10)48(61-52)32-50-42(12)46(57(63-50)47(58(56)64-51)31-55(66)68-14)27-28-54(65)69-30-29-38(8)26-20-25-37(7)24-19-23-36(6)22-18-21-35(4)5;/h16,29,32-37,39,42,46H,2,15,17-28,30-31H2,1,3-14H3,(H2-,60,61,62,63,64,67);/q-1;+2/p+1/b38-29+;