4-methylsulfanyl-3-propyl-benzenesulfonic acid

Systemtic Name: 4-methylsulfanyl-3-propyl-benzenesulfonic acid Openeye Name: 4-methylsulfanyl-3-propyl-benzenesulfonic acid CAS Name: 4-(methylthio)-3-propylbenzenesulfonic acid IUPAC Name: 4-methylsulfanyl-3-propylbenzenesulfonic acid Traditional Name: 4-(methylthio)-3-propyl-besylic acid Formula: C10H14O3S2 MolecularWeight: 246.34636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)O)SC

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)O)SC

InChI

InChI=1S/C10H14O3S2/c1-3-4-8-7-9(15(11,12)13)5-6-10(8)14-2/h5-7H,3-4H2,1-2H3,(H,11,12,13)