2-(2-acetyloxy-3-chloranyl-propyl)-4-methyl-benzenesulfonic acid

Systemtic Name: 2-(2-acetyloxy-3-chloranyl-propyl)-4-methyl-benzenesulfonic acid Openeye Name: 2-(2-acetoxy-3-chloro-propyl)-4-methyl-benzenesulfonic acid CAS Name: 2-(2-acetyloxy-3-chloropropyl)-4-methylbenzenesulfonic acid IUPAC Name: 2-(2-acetyloxy-3-chloropropyl)-4-methylbenzenesulfonic acid Traditional Name: 2-(2-acetoxy-3-chloro-propyl)-4-methyl-besylic acid Formula: C12H15ClO5S MolecularWeight: 306.7625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CC(CCl)OC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CC(CCl)OC(=O)C

InChI

InChI=1S/C12H15ClO5S/c1-8-3-4-12(19(15,16)17)10(5-8)6-11(7-13)18-9(2)14/h3-5,11H,6-7H2,1-2H3,(H,15,16,17)