magnesium [(E)-3,7,11,15-tetramethylhexadec-2-enyl] 3-[18-(3,3-diethoxypropylcarbamoyl)-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-(3,3-diethoxypropylcarbamoyl)-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-[18-(3,3-diethoxypropylcarbamoyl)-13-ethyl-20-(2-methoxy-2-oxo-ethyl)-3,7,12,17-tetramethyl-8-vinyl-2,3-dihydroporphyrin-22,24-diium-21,23-diid-2-yl]propanoate CAS Name: magnesium 3-[18-[(3,3-diethoxypropylamino)-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-(3,3-diethoxypropylcarbamoyl)-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-[18-(3,3-diethoxypropylcarbamoyl)-13-ethyl-20-(2-keto-2-methoxy-ethyl)-3,7,12,17-tetramethyl-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: C62H91MgN5O7+2 MolecularWeight: 1042.72024

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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)NCCC(OCC)OCC)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)NCCC(OCC)OCC)C.[Mg+2]

InChI

InChI=1S/C62H90N5O7.Mg/c1-15-46-42(10)50-35-52-44(12)48(28-29-56(68)74-33-31-41(9)27-21-26-40(8)25-20-24-39(7)23-19-22-38(5)6)60(66-52)49(34-57(69)71-14)61-59(62(70)63-32-30-58(72-17-3)73-18-4)45(13)53(67-61)37-55-47(16-2)43(11)51(65-55)36-54(46)64-50;/h15,31,35-40,44,48,58H,1,16-30,32-34H2,2-14H3,(H2-,63,64,65,66,67,70);/q-1;+2/p+1/b41-31+;