2,4-bis(hydroxymethyl)-3-oxidanyl-6-propyl-benzoic acid

Systemtic Name: 2,4-bis(hydroxymethyl)-3-oxidanyl-6-propyl-benzoic acid Openeye Name: 3-hydroxy-2,4-bis(hydroxymethyl)-6-propyl-benzoic acid CAS Name: 3-hydroxy-2,4-bis(hydroxymethyl)-6-propylbenzoic acid IUPAC Name: 3-hydroxy-2,4-bis(hydroxymethyl)-6-propylbenzoic acid Traditional Name: 3-hydroxy-2,4-dimethylol-6-propyl-benzoic acid Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1C(=O)O)CO)O)CO

Isomeric SMILES

CCCC1=CC(=C(C(=C1C(=O)O)CO)O)CO

InChI

InChI=1S/C12H16O5/c1-2-3-7-4-8(5-13)11(15)9(6-14)10(7)12(16)17/h4,13-15H,2-3,5-6H2,1H3,(H,16,17)