2-azanylethanol; 2-methylpropyl 10-sulfooxyoctadecanoate

Systemtic Name: 2-azanylethanol; 2-methylpropyl 10-sulfooxyoctadecanoate Openeye Name: 2-aminoethanol; isobutyl 10-sulfooxyoctadecanoate CAS Name: 2-aminoethanol; 10-sulfooxyoctadecanoic acid 2-methylpropyl ester IUPAC Name: 2-aminoethanol; 2-methylpropyl 10-sulfooxyoctadecanoate Traditional Name: 2-aminoethanol; 10-sulfoxystearic acid isobutyl ester Formula: C24H51NO7S MolecularWeight: 497.72924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O.C(CO)N

Isomeric SMILES

CCCCCCCCC(CCCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O.C(CO)N

InChI

InChI=1S/C22H44O6S.C2H7NO/c1-4-5-6-7-10-13-16-21(28-29(24,25)26)17-14-11-8-9-12-15-18-22(23)27-19-20(2)3;3-1-2-4/h20-21H,4-19H2,1-3H3,(H,24,25,26);4H,1-3H2