6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-octa-2,4-dienoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-octa-2,4-dienoyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-octa-2,4-dienoyl]benzoic acid CAS Name: 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-1-oxoocta-2,4-dienyl]benzoic acid IUPAC Name: 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-octa-2,4-dienoyl]benzoic acid Traditional Name: 2-hydroxy-4-methoxy-6-methylol-3-[(2E,4E)-octa-2,4-dienoyl]benzoic acid Formula: C17H20O6 MolecularWeight: 320.3371

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC=CC(=O)C1=C(C=C(C(=C1O)C(=O)O)CO)OC

Isomeric SMILES

CCC/C=C/C=C/C(=O)C1=C(C=C(C(=C1O)C(=O)O)CO)OC

InChI

InChI=1S/C17H20O6/c1-3-4-5-6-7-8-12(19)15-13(23-2)9-11(10-18)14(16(15)20)17(21)22/h5-9,18,20H,3-4,10H2,1-2H3,(H,21,22)/b6-5+,8-7+