3-butyl-4-butylsulfanyl-benzenesulfonic acid

Systemtic Name: 3-butyl-4-butylsulfanyl-benzenesulfonic acid Openeye Name: 3-butyl-4-butylsulfanyl-benzenesulfonic acid CAS Name: 3-butyl-4-(butylthio)benzenesulfonic acid IUPAC Name: 3-butyl-4-butylsulfanylbenzenesulfonic acid Traditional Name: 3-butyl-4-(butylthio)besylic acid Formula: C14H22O3S2 MolecularWeight: 302.45268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O3S2/c1-3-5-7-12-11-13(19(15,16)17)8-9-14(12)18-10-6-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,16,17)