4-[2-(butan-2-ylamino)-1-oxidanyl-ethyl]benzene-1,2-diol; ethanoic acid

Systemtic Name: 4-[2-(butan-2-ylamino)-1-oxidanyl-ethyl]benzene-1,2-diol; ethanoic acid Openeye Name: acetic acid; 4-[1-hydroxy-2-(sec-butylamino)ethyl]benzene-1,2-diol CAS Name: acetic acid; 4-[2-(butan-2-ylamino)-1-hydroxyethyl]benzene-1,2-diol IUPAC Name: acetic acid; 4-[2-(butan-2-ylamino)-1-hydroxyethyl]benzene-1,2-diol Traditional Name: acetic acid; 4-[1-hydroxy-2-(sec-butylamino)ethyl]pyrocatechol Formula: C14H23NO5 MolecularWeight: 285.33612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3.C2H4O2/c1-3-8(2)13-7-12(16)9-4-5-10(14)11(15)6-9;1-2(3)4/h4-6,8,12-16H,3,7H2,1-2H3;1H3,(H,3,4)