4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; sulfuric acid; dihydrate

Systemtic Name: 4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; sulfuric acid; dihydrate Openeye Name: 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol; sulfuric acid; dihydrate CAS Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; sulfuric acid; dihydrate IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; sulfuric acid; dihydrate Traditional Name: 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol; sulfuric acid; dihydrate Formula: C22H40N2O12S MolecularWeight: 556.6242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(C)NCC(C1=CC(=C(C=C1)O)O)O.O.O.OS(=O)(=O)O

Isomeric SMILES

CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(C)NCC(C1=CC(=C(C=C1)O)O)O.O.O.OS(=O)(=O)O

InChI

InChI=1S/2C11H17NO3.H2O4S.2H2O/c2*1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4;;/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4);2*1H2