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

Systemtic Name: [5-methoxy-3,4-bis(oxidanyl)-3-prop-1-ynyl-oxolan-2-yl]methyl benzoate Openeye Name: (3,4-dihydroxy-5-methoxy-3-prop-1-ynyl-tetrahydrofuran-2-yl)methyl benzoate CAS Name: benzoic acid (3,4-dihydroxy-5-methoxy-3-prop-1-ynyl-2-oxolanyl)methyl ester IUPAC Name: (3,4-dihydroxy-5-methoxy-3-prop-1-ynyloxolan-2-yl)methyl benzoate Traditional Name: benzoic acid (3,4-dihydroxy-5-methoxy-3-prop-1-ynyl-tetrahydrofuran-2-yl)methyl ester Formula: C16H18O6 MolecularWeight: 306.31052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O6/c1-3-9-16(19)12(22-15(20-2)13(16)17)10-21-14(18)11-7-5-4-6-8-11/h4-8,12-13,15,17,19H,10H2,1-2H3