4-(1-azanyl-2-oxidanyl-hexan-2-yl)benzene-1,2-diol

Systemtic Name: 4-(1-azanyl-2-oxidanyl-hexan-2-yl)benzene-1,2-diol Openeye Name: 4-[1-(aminomethyl)-1-hydroxy-pentyl]benzene-1,2-diol CAS Name: 4-(1-amino-2-hydroxyhexan-2-yl)benzene-1,2-diol IUPAC Name: 4-(1-amino-2-hydroxyhexan-2-yl)benzene-1,2-diol Traditional Name: 4-[1-(aminomethyl)-1-hydroxy-pentyl]pyrocatechol Formula: C12H19NO3 MolecularWeight: 225.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN)(C1=CC(=C(C=C1)O)O)O

Isomeric SMILES

CCCCC(CN)(C1=CC(=C(C=C1)O)O)O

InChI

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