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Details

Stereochemistry ACHIRAL
Molecular Formula C20H37O5S.H4N
Molecular Weight 407.608
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM OLEOYL ISETHIONATE

SMILES

[NH4+].CCCCCCCC\C=C/CCCCCCCC(=O)OCCS([O-])(=O)=O

InChI

InChIKey=BNZSWDPYGISHQA-KVVVOXFISA-N
InChI=1S/C20H38O5S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)25-18-19-26(22,23)24;/h9-10H,2-8,11-19H2,1H3,(H,22,23,24);1H3/b10-9-;

HIDE SMILES / InChI

Molecular Formula C20H37O5S
Molecular Weight 389.57
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula H4N
Molecular Weight 18.0385
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
SOC9O0MXEM
Record Status Validated (UNII)
Record Version