3-butylbenzenesulfonic acid

Systemtic Name: 3-butylbenzenesulfonic acid Openeye Name: 3-butylbenzenesulfonic acid CAS Name: 3-butylbenzenesulfonic acid IUPAC Name: 3-butylbenzenesulfonic acid Traditional Name: 3-butylbesylic acid Formula: C10H14O3S MolecularWeight: 214.28136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C10H14O3S/c1-2-3-5-9-6-4-7-10(8-9)14(11,12)13/h4,6-8H,2-3,5H2,1H3,(H,11,12,13)