5,5a,6,9-tetrahydro-4H-benzo[e][1]benzothiole-9a-carboxylic acid

Systemtic Name: 5,5a,6,9-tetrahydro-4H-benzo[e][1]benzothiole-9a-carboxylic acid Openeye Name: 5,5a,6,9-tetrahydro-4H-benzo[e]benzothiophene-9a-carboxylic acid CAS Name: 5,5a,6,9-tetrahydro-4H-benzo[e][1]benzothiole-9a-carboxylic acid IUPAC Name: 5,5a,6,9-tetrahydro-4H-benzo[e][1]benzothiole-9a-carboxylic acid Traditional Name: 5,5a,6,9-tetrahydro-4H-benzo[e]benzothiophene-9a-carboxylic acid Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CS2)C3(C1CC=CC3)C(=O)O

Isomeric SMILES

C1CC2=C(C=CS2)C3(C1CC=CC3)C(=O)O

InChI

InChI=1S/C13H14O2S/c14-12(15)13-7-2-1-3-9(13)4-5-11-10(13)6-8-16-11/h1-2,6,8-9H,3-5,7H2,(H,14,15)