methanesulfonic acid; 4-[(1R,2S)-1-oxidanyl-2-(propan-2-ylamino)butyl]benzene-1,2-diol

Systemtic Name: methanesulfonic acid; 4-[(1R,2S)-1-oxidanyl-2-(propan-2-ylamino)butyl]benzene-1,2-diol Openeye Name: 4-[(1R,2S)-1-hydroxy-2-(isopropylamino)butyl]benzene-1,2-diol; methanesulfonic acid CAS Name: 4-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol; methanesulfonic acid IUPAC Name: 4-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol; methanesulfonic acid Traditional Name: 4-[(1R,2S)-1-hydroxy-2-(isopropylamino)butyl]pyrocatechol; mesylic acid Formula: C14H25NO6S MolecularWeight: 335.4164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C.CS(=O)(=O)O

Isomeric SMILES

CC[C@@H]([C@@H](C1=CC(=C(C=C1)O)O)O)NC(C)C.CS(=O)(=O)O

InChI

InChI=1S/C13H21NO3.CH4O3S/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;1-5(2,3)4/h5-8,10,13-17H,4H2,1-3H3;1H3,(H,2,3,4)/t10-,13+;/m0./s1