8-methoxycarbonyl-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid

Systemtic Name: 8-methoxycarbonyl-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid Openeye Name: 8-methoxycarbonyl-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid CAS Name: 8-methoxycarbonyl-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid IUPAC Name: 8-methoxycarbonyl-1,3-dihydrobenzo[f][2]benzothiole-6-sulfonic acid Traditional Name: 8-carbomethoxy-1,3-dihydrobenz[f]isobenzothiophene-6-sulfonic acid Formula: C14H12O5S2 MolecularWeight: 324.37208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC2=CC3=C(CSC3)C=C21)S(=O)(=O)O

Isomeric SMILES

COC(=O)C1=CC(=CC2=CC3=C(CSC3)C=C21)S(=O)(=O)O

InChI

InChI=1S/C14H12O5S2/c1-19-14(15)13-5-11(21(16,17)18)3-8-2-9-6-20-7-10(9)4-12(8)13/h2-5H,6-7H2,1H3,(H,16,17,18)