7-methoxy-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid

Systemtic Name: 7-methoxy-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid Openeye Name: 7-methoxy-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid CAS Name: 7-methoxy-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid IUPAC Name: 7-methoxy-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid Traditional Name: 7-methoxy-1,3-dihydrobenz[f]isobenzothiophene-6-sulfonic acid Formula: C13H12O4S2 MolecularWeight: 296.36198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC3=C(CSC3)C=C2C=C1S(=O)(=O)O

Isomeric SMILES

COC1=CC2=CC3=C(CSC3)C=C2C=C1S(=O)(=O)O

InChI

InChI=1S/C13H12O4S2/c1-17-12-4-8-2-10-6-18-7-11(10)3-9(8)5-13(12)19(14,15)16/h2-5H,6-7H2,1H3,(H,14,15,16)