[4-[4-(3-chloranyl-4-phenylmethoxy-phenyl)-2,5-dimethyl-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-(3-chloranyl-4-phenylmethoxy-phenyl)-2,5-dimethyl-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-chloro-phenyl)-2,5-dimethyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(3-chloro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl] ester IUPAC Name: [4-[4-(3-chloro-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-chloro-phenyl)-2,5-dimethyl-phenyl]phenyl] ester Formula: C28H25ClO4S MolecularWeight: 493.0137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H25ClO4S/c1-19-16-26(20(2)15-25(19)22-9-12-24(13-10-22)33-34(3,30)31)23-11-14-28(27(29)17-23)32-18-21-7-5-4-6-8-21/h4-17H,18H2,1-3H3