4-(3,5,5-trimethylhexanoyloxy)benzenesulfonic acid

Systemtic Name: 4-(3,5,5-trimethylhexanoyloxy)benzenesulfonic acid Openeye Name: 4-(3,5,5-trimethylhexanoyloxy)benzenesulfonic acid CAS Name: 4-(3,5,5-trimethyl-1-oxohexoxy)benzenesulfonic acid IUPAC Name: 4-(3,5,5-trimethylhexanoyloxy)benzenesulfonic acid Traditional Name: 4-(3,5,5-trimethylhexanoyloxy)besylic acid Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S/c1-11(10-15(2,3)4)9-14(16)20-12-5-7-13(8-6-12)21(17,18)19/h5-8,11H,9-10H2,1-4H3,(H,17,18,19)