4-hexanoyloxybenzenesulfonic acid

Systemtic Name: 4-hexanoyloxybenzenesulfonic acid Openeye Name: 4-hexanoyloxybenzenesulfonic acid CAS Name: 4-(1-oxohexoxy)benzenesulfonic acid IUPAC Name: 4-hexanoyloxybenzenesulfonic acid Traditional Name: 4-caproyloxybesylic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H16O5S/c1-2-3-4-5-12(13)17-10-6-8-11(9-7-10)18(14,15)16/h6-9H,2-5H2,1H3,(H,14,15,16)