3-(2,2,3-trimethylhexanoyloxy)benzenesulfonic acid

Systemtic Name: 3-(2,2,3-trimethylhexanoyloxy)benzenesulfonic acid Openeye Name: 3-(2,2,3-trimethylhexanoyloxy)benzenesulfonic acid CAS Name: 3-(2,2,3-trimethyl-1-oxohexoxy)benzenesulfonic acid IUPAC Name: 3-(2,2,3-trimethylhexanoyloxy)benzenesulfonic acid Traditional Name: 3-(2,2,3-trimethylhexanoyloxy)besylic acid Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S/c1-5-7-11(2)15(3,4)14(16)20-12-8-6-9-13(10-12)21(17,18)19/h6,8-11H,5,7H2,1-4H3,(H,17,18,19)