5,5-dimethyl-4H-benzo[g][1]benzothiole-2-carboxylate

Systemtic Name: 5,5-dimethyl-4H-benzo[g][1]benzothiole-2-carboxylate Openeye Name: 5,5-dimethyl-4H-benzo[g]benzothiophene-2-carboxylate CAS Name: 5,5-dimethyl-4H-benzo[g][1]benzothiole-2-carboxylate IUPAC Name: 5,5-dimethyl-4H-benzo[g][1]benzothiole-2-carboxylate Traditional Name: 5,5-dimethyl-4H-benzo[g]benzothiophene-2-carboxylate Formula: C15H13O2S- MolecularWeight: 257.32752

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)[O-])C

InChI

InChI=1S/C15H14O2S/c1-15(2)8-9-7-12(14(16)17)18-13(9)10-5-3-4-6-11(10)15/h3-7H,8H2,1-2H3,(H,16,17)/p-1