2-(1-chloroethyl)-4-methyl-benzenesulfonate

Systemtic Name: 2-(1-chloroethyl)-4-methyl-benzenesulfonate Openeye Name: 2-(1-chloroethyl)-4-methyl-benzenesulfonate CAS Name: 2-(1-chloroethyl)-4-methylbenzenesulfonate IUPAC Name: 2-(1-chloroethyl)-4-methylbenzenesulfonate Traditional Name: 2-(1-chloroethyl)-4-methyl-besylate Formula: C9H10ClO3S- MolecularWeight: 233.6919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11ClO3S/c1-6-3-4-9(14(11,12)13)8(5-6)7(2)10/h3-5,7H,1-2H3,(H,11,12,13)/p-1