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Details

Stereochemistry MIXED
Molecular Formula C20H37O7S.Na
Molecular Weight 444.558
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 1,4-BIS(1-METHYLHEPTYL) SULFOSUCCINATE

SMILES

[Na+].CCCCCCC(C)OC(=O)CC(C(=O)OC(C)CCCCCC)S([O-])(=O)=O

InChI

InChIKey=HLLFAOOLQATURQ-UHFFFAOYSA-M
InChI=1S/C20H38O7S.Na/c1-5-7-9-11-13-16(3)26-19(21)15-18(28(23,24)25)20(22)27-17(4)14-12-10-8-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C20H37O7S
Molecular Weight 421.569
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Record UNII
20ZCN4FBUO
Record Status Validated (UNII)
Record Version