Magnesate(1-), [2-methyl 7,12-diethenyl-β-hydroxy-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(3-)-N21,N22,N23,N24]-, hydrogen, (SP-4-2)-
CAS Registry Number®
99898-43-8
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CAS Name
Magnesate(1-), [2-methyl 7,12-diethenyl-β-hydroxy-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(3-)-N21,N22,N23,N24]-, hydrogen, (SP-4-2)-Molecular Formula
C35H33MgN4O5.HCite this Page
Magnesate(1-), [2-methyl 7,12-diethenyl-β-hydroxy-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(3-)-N21,N22,N23,N24]-, hydrogen, (SP-4-2)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=99898-43-8 (retrieved ) (CAS RN: 99898-43-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C35H35N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15,32,40H,1-2,10-11,16H2,3-7H3,(H2-,36,37,38,39,41,42);/q-1;+2/p-1/b24-12-,25-12?,26-13?,27-14?,28-13-,29-14-,30-15-,31-15?;
InChIKey
InChIKey=MVCDIAGKFJFPBB-VCRSGQCUSA-M
SMILES
C(CC(OC)=O)(O)C=1C=2[N-]3[Mg+2]45[N]6=C(C2)C(CCC([O-])=O)=C(C)C6=CC=7[N-]4C(C=C8[N]5=C(C=C3C1C)C(C=C)=C8C)=C(C=C)C7C.[H+]
Canonical SMILES
[H+].O=C([O-])CCC=1C2=CC3=C(C(=C4C=C5C(C=C)=C(C=6C=C7C(C=C)=C(C8=CC(C1C)=[N]2[Mg+2]([N]56)([N-]78)[N-]43)C)C)C)C(O)CC(=O)OC
Other Names for this Substance
- Magnesate(1-), [2-methyl 7,12-diethenyl-β-hydroxy-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(3-)-N21,N22,N23,N24]-, hydrogen, (SP-4-2)-
- 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-β-hydroxy-3,8,13,17-tetramethyl-, 2-methyl ester, magnesium complex