[5-(hydroxymethyl)-3,4-bis(oxidanyl)-2-propa-1,2-dienyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(hydroxymethyl)-3,4-bis(oxidanyl)-2-propa-1,2-dienyl-oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dihydroxy-5-(hydroxymethyl)-2-propa-1,2-dienyl-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dihydroxy-5-(hydroxymethyl)-2-propa-1,2-dienyl-2-oxolanyl]methyl ester IUPAC Name: [3,4-dihydroxy-5-(hydroxymethyl)-2-propa-1,2-dienyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid (3,4-dihydroxy-5-methylol-2-propa-1,2-dienyl-tetrahydrofuran-2-yl)methyl ester Formula: C16H18O6 MolecularWeight: 306.31052

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Descriptors Computed from Structure

Canonical SMILES:

C=C=CC1(C(C(C(O1)CO)O)O)COC(=O)C2=CC=CC=C2

Isomeric SMILES

C=C=CC1(C(C(C(O1)CO)O)O)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H18O6/c1-2-8-16(14(19)13(18)12(9-17)22-16)10-21-15(20)11-6-4-3-5-7-11/h3-8,12-14,17-19H,1,9-10H2