dodecyl hydrogen sulfate; 4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol

Systemtic Name: dodecyl hydrogen sulfate; 4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol Openeye Name: dodecyl hydrogen sulfate; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol CAS Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol; sulfuric acid dodecyl ester IUPAC Name: dodecyl hydrogen sulfate; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol Traditional Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]pyrocatechol; sulfuric acid lauryl ester Formula: C21H39NO7S MolecularWeight: 449.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)O.CNCC(C1=CC(=C(C=C1)O)O)O

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)O.CNC[C@@H](C1=CC(=C(C=C1)O)O)O

InChI

InChI=1S/C12H26O4S.C9H13NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-12H2,1H3,(H,13,14,15);2-4,9-13H,5H2,1H3/t;9-/m.0/s1