2-(2-acetyloxypropyl)-3-chloranyl-4-methyl-benzenesulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO5S/c1-7-4-5-11(19(15,16)17)10(12(7)13)6-8(2)18-9(3)14/h4-5,8H,6H2,1-3H3,(H,15,16,17)