2-(3-chloranylpropyl)-5-methyl-benzenesulfonic acid

Systemtic Name: 2-(3-chloranylpropyl)-5-methyl-benzenesulfonic acid Openeye Name: 2-(3-chloropropyl)-5-methyl-benzenesulfonic acid CAS Name: 2-(3-chloropropyl)-5-methylbenzenesulfonic acid IUPAC Name: 2-(3-chloropropyl)-5-methylbenzenesulfonic acid Traditional Name: 2-(3-chloropropyl)-5-methyl-besylic acid Formula: C10H13ClO3S MolecularWeight: 248.72642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCCl)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)CCCCl)S(=O)(=O)O

InChI

InChI=1S/C10H13ClO3S/c1-8-4-5-9(3-2-6-11)10(7-8)15(12,13)14/h4-5,7H,2-3,6H2,1H3,(H,12,13,14)