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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCOCC2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCOCC2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3Cl

InChI

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