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

Systemtic Name: 7-methyl-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid Openeye Name: 7-methyl-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid CAS Name: 7-methyl-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid IUPAC Name: 7-methyl-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid Traditional Name: 7-methyl-1,3-dihydrobenz[f]isobenzothiophene-6-sulfonic acid Formula: C13H12O3S2 MolecularWeight: 280.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(CSC3)C=C2C=C1S(=O)(=O)O

Isomeric SMILES

CC1=CC2=CC3=C(CSC3)C=C2C=C1S(=O)(=O)O

InChI

InChI=1S/C13H12O3S2/c1-8-2-9-3-11-6-17-7-12(11)4-10(9)5-13(8)18(14,15)16/h2-5H,6-7H2,1H3,(H,14,15,16)