Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Sorbitan monooleate / sorbitan monooleate	1338-43-8	9920342

Structure

Other Information

Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O
Iso SMILES	CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
InChI	InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24+/m0/s1
InChI Key	NWGKJDSIEKMTRX-AAZCQSIUSA-N
Formula	C24H44O6
Mol Weight	428.603
XlogP3	6
Charge	0

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Synonyms Information

CAS Name	(Z)-9-octadecenoic acid [(2R)-2-[(2R,3R,4S)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl] ester
IUPAC Name	[(2R)-2-[(2R,3R,4S)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxy-ethyl] (Z)-octadec-9-enoate
Openeye Name	[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
Systematic Name	[(2R)-2-[(2R,3R,4S)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] (Z)-octadec-9-enoate
Tratitional Name	[(2R)-2-[(2R,3R,4S)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] (Z)-octadec-9-enoate