5-[2-(tert-butylamino)-1-oxidanyl-ethyl]naphthalene-2,3-diol hydrate

Systemtic Name: 5-[2-(tert-butylamino)-1-oxidanyl-ethyl]naphthalene-2,3-diol hydrate Openeye Name: 5-[2-(tert-butylamino)-1-hydroxy-ethyl]naphthalene-2,3-diol hydrate CAS Name: 5-[2-(tert-butylamino)-1-hydroxyethyl]naphthalene-2,3-diol hydrate IUPAC Name: 5-[2-(tert-butylamino)-1-hydroxyethyl]naphthalene-2,3-diol hydrate Traditional Name: 5-[2-(tert-butylamino)-1-hydroxy-ethyl]naphthalene-2,3-diol hydrate Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC=CC2=CC(=C(C=C21)O)O)O.O

Isomeric SMILES

CC(C)(C)NCC(C1=CC=CC2=CC(=C(C=C21)O)O)O.O

InChI

InChI=1S/C16H21NO3.H2O/c1-16(2,3)17-9-15(20)11-6-4-5-10-7-13(18)14(19)8-12(10)11;/h4-8,15,17-20H,9H2,1-3H3;1H2