methyl 4-[3-(hydroxymethyl)-1-oxidanyl-but-3-enyl]benzoate

Systemtic Name: methyl 4-[3-(hydroxymethyl)-1-oxidanyl-but-3-enyl]benzoate Openeye Name: methyl 4-[1-hydroxy-3-(hydroxymethyl)but-3-enyl]benzoate CAS Name: 4-[1-hydroxy-3-(hydroxymethyl)but-3-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-hydroxy-3-(hydroxymethyl)but-3-enyl]benzoate Traditional Name: 4-(1-hydroxy-3-methylol-but-3-enyl)benzoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(CC(=C)CO)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(CC(=C)CO)O

InChI

InChI=1S/C13H16O4/c1-9(8-14)7-12(15)10-3-5-11(6-4-10)13(16)17-2/h3-6,12,14-15H,1,7-8H2,2H3