2-acetyloxybenzoic acid; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol

Systemtic Name: 2-acetyloxybenzoic acid; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol Openeye Name: 2-acetoxybenzoic acid; 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol CAS Name: 2-acetyloxybenzoic acid; 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol IUPAC Name: 2-acetyloxybenzoic acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol Traditional Name: 2-acetoxybenzoic acid; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C17H19NO7 MolecularWeight: 349.33526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CO.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C9H8O4.C8H11NO3/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-5-8(12)7(4-11)6(3-10)2-9-5/h2-5H,1H3,(H,11,12);2,10-12H,3-4H2,1H3