4-[(5-butyl-2-oxidanylidene-1,3-dioxol-4-yl)methylsulfanyl]benzenesulfonic acid

Systemtic Name: 4-[(5-butyl-2-oxidanylidene-1,3-dioxol-4-yl)methylsulfanyl]benzenesulfonic acid Openeye Name: 4-[(5-butyl-2-oxo-1,3-dioxol-4-yl)methylsulfanyl]benzenesulfonic acid CAS Name: 4-[(5-butyl-2-oxo-1,3-dioxol-4-yl)methylthio]benzenesulfonic acid IUPAC Name: 4-[(5-butyl-2-oxo-1,3-dioxol-4-yl)methylsulfanyl]benzenesulfonic acid Traditional Name: 4-[(5-butyl-2-keto-1,3-dioxol-4-yl)methylthio]besylic acid Formula: C14H16O6S2 MolecularWeight: 344.40324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(OC(=O)O1)CSC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCC1=C(OC(=O)O1)CSC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C14H16O6S2/c1-2-3-4-12-13(20-14(15)19-12)9-21-10-5-7-11(8-6-10)22(16,17)18/h5-8H,2-4,9H2,1H3,(H,16,17,18)