4-[2-(methylamino)-2-(4-methylphenyl)ethyl]benzene-1,2-diol hydrate dihydrobromide

Systemtic Name: 4-[2-(methylamino)-2-(4-methylphenyl)ethyl]benzene-1,2-diol hydrate dihydrobromide Openeye Name: 4-[2-(methylamino)-2-(p-tolyl)ethyl]benzene-1,2-diol hydrate dihydrobromide CAS Name: 4-[2-(methylamino)-2-(4-methylphenyl)ethyl]benzene-1,2-diol hydrate dihydrobromide IUPAC Name: 4-[2-(methylamino)-2-(4-methylphenyl)ethyl]benzene-1,2-diol hydrate dihydrobromide Traditional Name: 4-[2-(methylamino)-2-(p-tolyl)ethyl]pyrocatechol hydrate dihydrobromide Formula: C32H42Br2N2O5 MolecularWeight: 694.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)O)O)NC.CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)O)O)NC.O.Br.Br

Isomeric SMILES

CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)O)O)NC.CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)O)O)NC.O.Br.Br

InChI

InChI=1S/2C16H19NO2.2BrH.H2O/c2*1-11-3-6-13(7-4-11)14(17-2)9-12-5-8-15(18)16(19)10-12;;;/h2*3-8,10,14,17-19H,9H2,1-2H3;2*1H;1H2