2-(7-methyloctanoyloxy)benzenesulfonic acid

Systemtic Name: 2-(7-methyloctanoyloxy)benzenesulfonic acid Openeye Name: 2-(7-methyloctanoyloxy)benzenesulfonic acid CAS Name: 2-(7-methyl-1-oxooctoxy)benzenesulfonic acid IUPAC Name: 2-(7-methyloctanoyloxy)benzenesulfonic acid Traditional Name: 2-(7-methyloctanoyloxy)besylic acid Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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