2-azanylethanol; 4-icosoxy-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 2-azanylethanol; 4-icosoxy-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 2-aminoethanol; 4-icosoxy-4-oxo-2-sulfo-butanoic acid CAS Name: 2-aminoethanol; 4-eicosoxy-4-oxo-2-sulfobutanoic acid IUPAC Name: 2-aminoethanol; 4-icosoxy-4-oxo-2-sulfobutanoic acid Traditional Name: 2-aminoethanol; 4-arachyloxy-4-keto-2-sulfo-butyric acid Formula: C28H60N2O9S MolecularWeight: 600.849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)O.C(CO)N.C(CO)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)O.C(CO)N.C(CO)N

InChI

InChI=1S/C24H46O7S.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-23(25)21-22(24(26)27)32(28,29)30;2*3-1-2-4/h22H,2-21H2,1H3,(H,26,27)(H,28,29,30);2*4H,1-3H2