(4-hexoxyphenyl) 4-chloranyl-3-methyl-benzenesulfonate

Systemtic Name: (4-hexoxyphenyl) 4-chloranyl-3-methyl-benzenesulfonate Openeye Name: (4-hexoxyphenyl) 4-chloro-3-methyl-benzenesulfonate CAS Name: 4-chloro-3-methylbenzenesulfonic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 4-chloro-3-methylbenzenesulfonate Traditional Name: 4-chloro-3-methyl-benzenesulfonic acid (4-hexoxyphenyl) ester Formula: C19H23ClO4S MolecularWeight: 382.90152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C19H23ClO4S/c1-3-4-5-6-13-23-16-7-9-17(10-8-16)24-25(21,22)18-11-12-19(20)15(2)14-18/h7-12,14H,3-6,13H2,1-2H3