6-butoxy-1,3-dihydro-2-benzothiophene-5-sulfonic acid

Systemtic Name: 6-butoxy-1,3-dihydro-2-benzothiophene-5-sulfonic acid Openeye Name: 6-butoxy-1,3-dihydro-2-benzothiophene-5-sulfonic acid CAS Name: 6-butoxy-1,3-dihydro-2-benzothiophene-5-sulfonic acid IUPAC Name: 6-butoxy-1,3-dihydro-2-benzothiophene-5-sulfonic acid Traditional Name: 6-butoxy-1,3-dihydroisobenzothiophene-5-sulfonic acid Formula: C12H16O4S2 MolecularWeight: 288.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2CSCC2=C1)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=C(C=C2CSCC2=C1)S(=O)(=O)O

InChI

InChI=1S/C12H16O4S2/c1-2-3-4-16-11-5-9-7-17-8-10(9)6-12(11)18(13,14)15/h5-6H,2-4,7-8H2,1H3,(H,13,14,15)