pyridin-3-ylmethanol; 3,4,5-trimethoxybenzoic acid; hydrochloride

Systemtic Name: pyridin-3-ylmethanol; 3,4,5-trimethoxybenzoic acid; hydrochloride Openeye Name: 3-pyridylmethanol; 3,4,5-trimethoxybenzoic acid; hydrochloride CAS Name: 3-pyridinylmethanol; 3,4,5-trimethoxybenzoic acid; hydrochloride IUPAC Name: pyridin-3-ylmethanol; 3,4,5-trimethoxybenzoic acid; hydrochloride Traditional Name: 3-pyridylmethanol; 3,4,5-trimethoxybenzoic acid; hydrochloride Formula: C16H20ClNO6 MolecularWeight: 357.7861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)O.C1=CC(=CN=C1)CO.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)O.C1=CC(=CN=C1)CO.Cl

InChI

InChI=1S/C10H12O5.C6H7NO.ClH/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;8-5-6-2-1-3-7-4-6;/h4-5H,1-3H3,(H,11,12);1-4,8H,5H2;1H