2-phenoxypropyl 4-methylbenzenesulfonate

Systemtic Name: 2-phenoxypropyl 4-methylbenzenesulfonate Openeye Name: 2-phenoxypropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-phenoxypropyl ester IUPAC Name: 2-phenoxypropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-phenoxypropyl ester Formula: C16H18O4S MolecularWeight: 306.37672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)OC2=CC=CC=C2

InChI

InChI=1S/C16H18O4S/c1-13-8-10-16(11-9-13)21(17,18)19-12-14(2)20-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3