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Details

Stereochemistry RACEMIC
Molecular Formula C18H18N4O6S
Molecular Weight 418.424
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P'-HYDROXYMESOCARB SULFATE

SMILES

CC(CC1=CC=C(OS([O-])(=O)=O)C=C1)[N+]2=NOC(NC(=O)NC3=CC=CC=C3)=C2

InChI

InChIKey=MADCEUGMXMCIKI-UHFFFAOYSA-N
InChI=1S/C18H18N4O6S/c1-13(11-14-7-9-16(10-8-14)28-29(24,25)26)22-12-17(27-21-22)20-18(23)19-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H2-,19,20,21,23,24,25,26)

HIDE SMILES / InChI

Molecular Formula C18H18N4O6S
Molecular Weight 418.424
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
H4VCJ9GR90
Record Status Validated (UNII)
Record Version