2-methyl-4-(2-oxidanylidenepentyl)benzenesulfonic acid

Systemtic Name: 2-methyl-4-(2-oxidanylidenepentyl)benzenesulfonic acid Openeye Name: 2-methyl-4-(2-oxopentyl)benzenesulfonic acid CAS Name: 2-methyl-4-(2-oxopentyl)benzenesulfonic acid IUPAC Name: 2-methyl-4-(2-oxopentyl)benzenesulfonic acid Traditional Name: 4-(2-ketopentyl)-2-methyl-besylic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-3-4-11(13)8-10-5-6-12(9(2)7-10)17(14,15)16/h5-7H,3-4,8H2,1-2H3,(H,14,15,16)