2-(2-methyloctanoyloxy)benzenesulfonic acid

Systemtic Name: 2-(2-methyloctanoyloxy)benzenesulfonic acid Openeye Name: 2-(2-methyloctanoyloxy)benzenesulfonic acid CAS Name: 2-(2-methyl-1-oxooctoxy)benzenesulfonic acid IUPAC Name: 2-(2-methyloctanoyloxy)benzenesulfonic acid Traditional Name: 2-(2-methyloctanoyloxy)besylic acid Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)OC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C)C(=O)OC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C15H22O5S/c1-3-4-5-6-9-12(2)15(16)20-13-10-7-8-11-14(13)21(17,18)19/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18,19)