3-(2-chloroethyl)-4-methyl-benzenesulfonic acid

Systemtic Name: 3-(2-chloroethyl)-4-methyl-benzenesulfonic acid Openeye Name: 3-(2-chloroethyl)-4-methyl-benzenesulfonic acid CAS Name: 3-(2-chloroethyl)-4-methylbenzenesulfonic acid IUPAC Name: 3-(2-chloroethyl)-4-methylbenzenesulfonic acid Traditional Name: 3-(2-chloroethyl)-4-methyl-besylic acid Formula: C9H11ClO3S MolecularWeight: 234.69984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)CCCl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)CCCl

InChI

InChI=1S/C9H11ClO3S/c1-7-2-3-9(14(11,12)13)6-8(7)4-5-10/h2-3,6H,4-5H2,1H3,(H,11,12,13)