1-piperidin-2-ylpropan-2-one; 3,4,5-tris(oxidanyl)benzoic acid

Systemtic Name: 1-piperidin-2-ylpropan-2-one; 3,4,5-tris(oxidanyl)benzoic acid Openeye Name: 1-(2-piperidyl)propan-2-one; 3,4,5-trihydroxybenzoic acid CAS Name: 1-(2-piperidinyl)-2-propanone; 3,4,5-trihydroxybenzoic acid IUPAC Name: 1-piperidin-2-ylpropan-2-one; 3,4,5-trihydroxybenzoic acid Traditional Name: gallic acid; pelletierine Formula: C15H21NO6 MolecularWeight: 311.33034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CCCCN1.C1=C(C=C(C(=C1O)O)O)C(=O)O

Isomeric SMILES

CC(=O)CC1CCCCN1.C1=C(C=C(C(=C1O)O)O)C(=O)O

InChI

InChI=1S/C8H15NO.C7H6O5/c1-7(10)6-8-4-2-3-5-9-8;8-4-1-3(7(11)12)2-5(9)6(4)10/h8-9H,2-6H2,1H3;1-2,8-10H,(H,11,12)