4-[1,5-bis(oxidanylidene)pentan-3-yl]benzenesulfonic acid

Systemtic Name: 4-[1,5-bis(oxidanylidene)pentan-3-yl]benzenesulfonic acid Openeye Name: 4-[3-oxo-1-(2-oxoethyl)propyl]benzenesulfonic acid CAS Name: 4-(1,5-dioxopentan-3-yl)benzenesulfonic acid IUPAC Name: 4-(1,5-dioxopentan-3-yl)benzenesulfonic acid Traditional Name: 4-[3-keto-1-(2-ketoethyl)propyl]besylic acid Formula: C11H12O5S MolecularWeight: 256.27498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC=O)CC=O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CC=O)CC=O)S(=O)(=O)O

InChI

InChI=1S/C11H12O5S/c12-7-5-10(6-8-13)9-1-3-11(4-2-9)17(14,15)16/h1-4,7-8,10H,5-6H2,(H,14,15,16)