5-octyl-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-octyl-2-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-5-octyl-benzenesulfonic acid CAS Name: 2-hydroxy-5-octylbenzenesulfonic acid IUPAC Name: 2-hydroxy-5-octylbenzenesulfonic acid Traditional Name: 2-hydroxy-5-octyl-besylic acid Formula: C14H22O4S MolecularWeight: 286.38708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)O)S(=O)(=O)O

InChI

InChI=1S/C14H22O4S/c1-2-3-4-5-6-7-8-12-9-10-13(15)14(11-12)19(16,17)18/h9-11,15H,2-8H2,1H3,(H,16,17,18)