4-(3-octylsulfanylpropyl)benzenesulfonic acid

Systemtic Name: 4-(3-octylsulfanylpropyl)benzenesulfonic acid Openeye Name: 4-(3-octylsulfanylpropyl)benzenesulfonic acid CAS Name: 4-[3-(octylthio)propyl]benzenesulfonic acid IUPAC Name: 4-(3-octylsulfanylpropyl)benzenesulfonic acid Traditional Name: 4-[3-(octylthio)propyl]besylic acid Formula: C17H28O3S2 MolecularWeight: 344.53242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCCC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCSCCCC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H28O3S2/c1-2-3-4-5-6-7-14-21-15-8-9-16-10-12-17(13-11-16)22(18,19)20/h10-13H,2-9,14-15H2,1H3,(H,18,19,20)