4-(3-chloranyl-3-oxidanylidene-propyl)benzenesulfonic acid

Systemtic Name: 4-(3-chloranyl-3-oxidanylidene-propyl)benzenesulfonic acid Openeye Name: 4-(3-chloro-3-oxo-propyl)benzenesulfonic acid CAS Name: 4-(3-chloro-3-oxopropyl)benzenesulfonic acid IUPAC Name: 4-(3-chloro-3-oxopropyl)benzenesulfonic acid Traditional Name: 4-(3-chloro-3-keto-propyl)besylic acid Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)Cl)S(=O)(=O)O

InChI

InChI=1S/C9H9ClO4S/c10-9(11)6-3-7-1-4-8(5-2-7)15(12,13)14/h1-2,4-5H,3,6H2,(H,12,13,14)