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Details

Stereochemistry ABSOLUTE
Molecular Formula C58H99O6P.C18H33NO4.2Na
Molecular Weight 1296.8153
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM LAURIMINODIPROPIONATE DITOCOPHERYL PHOSPHATE

SMILES

[Na+].[Na+].CCCCCCCCCCCCN(CCC([O-])=O)CCC([O-])=O.CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OP(O)(=O)OC3=C(C)C4=C(O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC4)C(C)=C3C)=C2C

InChI

InChIKey=PJHSXVJMNODAEV-QPFJXDHLSA-L
InChI=1S/C58H99O6P.C18H35NO4.2Na/c1-39(2)23-17-25-41(5)27-19-29-43(7)31-21-35-57(15)37-33-51-49(13)53(45(9)47(11)55(51)61-57)63-65(59,60)64-54-46(10)48(12)56-52(50(54)14)34-38-58(16,62-56)36-22-32-44(8)30-20-28-42(6)26-18-24-40(3)4;1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;;/h39-44H,17-38H2,1-16H3,(H,59,60);2-16H2,1H3,(H,20,21)(H,22,23);;/q;;2*+1/p-2/t41-,42-,43-,44-,57-,58-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H33NO4
Molecular Weight 327.4589
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C58H99O6P
Molecular Weight 923.3768
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
899K3OWY4Z
Record Status Validated (UNII)
Record Version