[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R)-chroman-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl ester IUPAC Name: [(2R)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-chroman-2-yl]methyl ester Formula: C17H18O4S MolecularWeight: 318.38742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CCC3=CC=CC=C3O2

InChI

InChI=1S/C17H18O4S/c1-13-6-10-16(11-7-13)22(18,19)20-12-15-9-8-14-4-2-3-5-17(14)21-15/h2-7,10-11,15H,8-9,12H2,1H3/t15-/m1/s1