1-(2-butylphenyl)ethanesulfonic acid

Systemtic Name: 1-(2-butylphenyl)ethanesulfonic acid Openeye Name: 1-(2-butylphenyl)ethanesulfonic acid CAS Name: 1-(2-butylphenyl)ethanesulfonic acid IUPAC Name: 1-(2-butylphenyl)ethanesulfonic acid Traditional Name: 1-(2-butylphenyl)ethanesulfonic acid Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(C)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC=CC=C1C(C)S(=O)(=O)O

InChI

InChI=1S/C12H18O3S/c1-3-4-7-11-8-5-6-9-12(11)10(2)16(13,14)15/h5-6,8-10H,3-4,7H2,1-2H3,(H,13,14,15)