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

Systemtic Name: ethanoic acid; 4-[1-oxidanyl-2-(propylamino)ethyl]benzene-1,2-diol Openeye Name: acetic acid; 4-[1-hydroxy-2-(propylamino)ethyl]benzene-1,2-diol CAS Name: acetic acid; 4-[1-hydroxy-2-(propylamino)ethyl]benzene-1,2-diol IUPAC Name: acetic acid; 4-[1-hydroxy-2-(propylamino)ethyl]benzene-1,2-diol Traditional Name: acetic acid; 4-[1-hydroxy-2-(propylamino)ethyl]pyrocatechol Formula: C13H21NO5 MolecularWeight: 271.30954

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(C1=CC(=C(C=C1)O)O)O.CC(=O)O

Isomeric SMILES

CCCNCC(C1=CC(=C(C=C1)O)O)O.CC(=O)O

InChI

InChI=1S/C11H17NO3.C2H4O2/c1-2-5-12-7-11(15)8-3-4-9(13)10(14)6-8;1-2(3)4/h3-4,6,11-15H,2,5,7H2,1H3;1H3,(H,3,4)