Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Sodium iso-nonanoyl oxybenzene sulphonate	123354-92-7	124621

Structure

Other Information

Canonical SMILES	CC(C)CCCCCC(=O)OS(=O)(=O)OC1=CC=CC=C1
Iso SMILES	CC(C)CCCCCC(=O)OS(=O)(=O)OC1=CC=CC=C1
InChI	InChI=1S/C15H22O5S/c1-13(2)9-5-3-8-12-15(16)20-21(17,18)19-14-10-6-4-7-11-14/h4,6-7,10-11,13H,3,5,8-9,12H2,1-2H3
InChI Key	PATMLLNMTPIUSY-UHFFFAOYSA-N
Formula	C15H22O5S
Mol Weight	314.397
XlogP3	4.8
Charge	0

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Synonyms Information

CAS Name	7-methyloctanoic acid phenoxysulfonyl ester
IUPAC Name	phenoxysulfonyl 7-methyloctanoate
Openeye Name	phenoxysulfonyl 7-methyloctanoate
Systematic Name	phenoxysulfonyl 7-methyloctanoate
Tratitional Name	phenoxysulfonyl 7-methyloctanoate