2-[3-(4-chlorophenyl)propyl]-4-methyl-benzenesulfonate

Systemtic Name: 2-[3-(4-chlorophenyl)propyl]-4-methyl-benzenesulfonate Openeye Name: 2-[3-(4-chlorophenyl)propyl]-4-methyl-benzenesulfonate CAS Name: 2-[3-(4-chlorophenyl)propyl]-4-methylbenzenesulfonate IUPAC Name: 2-[3-(4-chlorophenyl)propyl]-4-methylbenzenesulfonate Traditional Name: 2-[3-(4-chlorophenyl)propyl]-4-methyl-besylate Formula: C16H16ClO3S- MolecularWeight: 323.81444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H17ClO3S/c1-12-5-10-16(21(18,19)20)14(11-12)4-2-3-13-6-8-15(17)9-7-13/h5-11H,2-4H2,1H3,(H,18,19,20)/p-1