3-hexylbenzenesulfonic acid

Systemtic Name: 3-hexylbenzenesulfonic acid Openeye Name: 3-hexylbenzenesulfonic acid CAS Name: 3-hexylbenzenesulfonic acid IUPAC Name: 3-hexylbenzenesulfonic acid Traditional Name: 3-hexylbesylic acid Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCC1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C12H18O3S/c1-2-3-4-5-7-11-8-6-9-12(10-11)16(13,14)15/h6,8-10H,2-5,7H2,1H3,(H,13,14,15)