2-[[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]oxymethyl]benzoic acid

Systemtic Name: 2-[[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]oxymethyl]benzoic acid Openeye Name: 2-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]oxymethyl]benzoic acid CAS Name: 2-[[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]oxymethyl]benzoic acid IUPAC Name: 2-[[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]oxymethyl]benzoic acid Traditional Name: 2-[[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]oxymethyl]benzoic acid Formula: C23H22O6 MolecularWeight: 394.41718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)OCC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)OCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H22O6/c1-2-16(12-15-8-4-3-5-9-15)20-13-19(24)21(23(27)29-20)28-14-17-10-6-7-11-18(17)22(25)26/h3-11,13,16,27H,2,12,14H2,1H3,(H,25,26)