2-(2-chloranyl-4-phenoxy-phenoxy)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(2-chloranyl-4-phenoxy-phenoxy)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2-chloro-4-phenoxy-phenoxy)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2-chloro-4-phenoxyphenoxy)ethyl ester IUPAC Name: 2-(2-chloro-4-phenoxyphenoxy)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2-chloro-4-phenoxy-phenoxy)ethyl ester Formula: C21H19ClO5S MolecularWeight: 418.89056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=C(C=C(C=C2)OC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=C(C=C(C=C2)OC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19ClO5S/c1-16-7-10-19(11-8-16)28(23,24)26-14-13-25-21-12-9-18(15-20(21)22)27-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3