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Details

Stereochemistry UNKNOWN
Molecular Formula C27H47NO5S.2Na
Molecular Weight 543.71
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM TETRAMETHYLHEXADECENYL SUCCINOYL CYSTEINE

SMILES

[Na+].[Na+].CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CSC[C@H](NC(=O)CCC([O-])=O)C([O-])=O

InChI

InChIKey=PWFMFQCZRBHDJD-CDRGCRMWSA-L
InChI=1S/C27H49NO5S.2Na/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)17-18-34-19-24(27(32)33)28-25(29)15-16-26(30)31;;/h17,20-22,24H,6-16,18-19H2,1-5H3,(H,28,29)(H,30,31)(H,32,33);;/q;2*+1/p-2/b23-17+;;/t21?,22?,24-;;/m0../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 C27H47NO5S
Molecular Weight 497.731
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
CZA8L664YS
Record Status Validated (UNII)
Record Version