[3-but-1-ynyl-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl benzoate

Systemtic Name: [3-but-1-ynyl-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl benzoate Openeye Name: (3-but-1-ynyl-3,4-dihydroxy-5-methoxy-tetrahydrofuran-2-yl)methyl benzoate CAS Name: benzoic acid (3-but-1-ynyl-3,4-dihydroxy-5-methoxy-2-oxolanyl)methyl ester IUPAC Name: (3-but-1-ynyl-3,4-dihydroxy-5-methoxyoxolan-2-yl)methyl benzoate Traditional Name: benzoic acid (3-but-1-ynyl-3,4-dihydroxy-5-methoxy-tetrahydrofuran-2-yl)methyl ester Formula: C17H20O6 MolecularWeight: 320.3371

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1(C(OC(C1O)OC)COC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCC#CC1(C(OC(C1O)OC)COC(=O)C2=CC=CC=C2)O

InChI

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