[3-methyl-5-(3-phenylmethoxypropoxy)phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-methyl-5-(3-phenylmethoxypropoxy)phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-(3-benzyloxypropoxy)-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-methyl-5-(3-phenylmethoxypropoxy)phenyl] ester IUPAC Name: [3-methyl-5-(3-phenylmethoxypropoxy)phenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-(3-benzoxypropoxy)-5-methyl-phenyl] ester Formula: C23H23ClO5S MolecularWeight: 446.94372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCCOCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCCOCC3=CC=CC=C3

InChI

InChI=1S/C23H23ClO5S/c1-18-14-20(28-13-7-12-27-17-19-8-3-2-4-9-19)16-21(15-18)29-30(25,26)23-11-6-5-10-22(23)24/h2-6,8-11,14-16H,7,12-13,17H2,1H3