[2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-5-enyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-5-enyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-5-enyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-5-enyl]methyl ester IUPAC Name: [2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-5-enyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methylol-3-bicyclo[2.2.1]hept-5-enyl)methyl ester Formula: C16H20O4S MolecularWeight: 308.3926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CC(C2CO)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CC(C2CO)C=C3

InChI

InChI=1S/C16H20O4S/c1-11-2-6-14(7-3-11)21(18,19)20-10-16-13-5-4-12(8-13)15(16)9-17/h2-7,12-13,15-17H,8-10H2,1H3