4-ethylsulfanyl-2-methoxy-benzenesulfonic acid

Systemtic Name: 4-ethylsulfanyl-2-methoxy-benzenesulfonic acid Openeye Name: 4-ethylsulfanyl-2-methoxy-benzenesulfonic acid CAS Name: 4-(ethylthio)-2-methoxybenzenesulfonic acid IUPAC Name: 4-ethylsulfanyl-2-methoxybenzenesulfonic acid Traditional Name: 4-(ethylthio)-2-methoxy-besylic acid Formula: C9H12O4S2 MolecularWeight: 248.31918

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C=C1)S(=O)(=O)O)OC

Isomeric SMILES

CCSC1=CC(=C(C=C1)S(=O)(=O)O)OC

InChI

InChI=1S/C9H12O4S2/c1-3-14-7-4-5-9(15(10,11)12)8(6-7)13-2/h4-6H,3H2,1-2H3,(H,10,11,12)