4-acetamido-2-(2-methylpropyl)benzenesulfinate

Systemtic Name: 4-acetamido-2-(2-methylpropyl)benzenesulfinate Openeye Name: 4-acetamido-2-isobutyl-benzenesulfinate CAS Name: 4-acetamido-2-(2-methylpropyl)benzenesulfinate IUPAC Name: 4-acetamido-2-(2-methylpropyl)benzenesulfinate Traditional Name: 4-acetamido-2-isobutyl-benzenesulfinate Formula: C12H16NO3S- MolecularWeight: 254.32534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)NC(=O)C)S(=O)[O-]

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)NC(=O)C)S(=O)[O-]

InChI

InChI=1S/C12H17NO3S/c1-8(2)6-10-7-11(13-9(3)14)4-5-12(10)17(15)16/h4-5,7-8H,6H2,1-3H3,(H,13,14)(H,15,16)/p-1