Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Sorbitan sesquioleate 8007-43-0 6433515
Structure Other Information
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.C(C(C(C(C(CO)O)O)O)O)O.C(C(C(C(C(CO)O)O)O)O)O
Iso SMILES CCCCCCCC/C=CCCCCCCCC(=O)O.CCCCCCCC/C=CCCCCCCCC(=O)O.CCCCCCCC/C=CCCCCCCCC(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChI InChI=1S/3C18H34O2.2C6H14O6/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*7-1-3(9)5(11)6(12)4(10)2-8/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);2*3-12H,1-2H2/b3*10-9-;;/t;;;2*3-,4+,5-,6-/m...11/s1
InChI Key CUNWUEBNSZSNRX-RKGWDQTMSA-N
Formula C66H130O18
Mol Weight 1211.73
XlogP3 0
Charge 0

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Synonyms Information
CAS Name (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; (Z)-9-octadecenoic acid
IUPAC Name (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; (Z)-octadec-9-enoic acid
Openeye Name (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; (Z)-octadec-9-enoic acid
Systematic Name (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; (Z)-octadec-9-enoic acid
Tratitional Name (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; (Z)-octadec-9-enoic acid