5,5a,6,7,8,9-hexahydro-4H-benzo[e][1]benzothiole-9a-carboxylic acid

Systemtic Name: 5,5a,6,7,8,9-hexahydro-4H-benzo[e][1]benzothiole-9a-carboxylic acid Openeye Name: 5,5a,6,7,8,9-hexahydro-4H-benzo[e]benzothiophene-9a-carboxylic acid CAS Name: 5,5a,6,7,8,9-hexahydro-4H-benzo[e][1]benzothiole-9a-carboxylic acid IUPAC Name: 5,5a,6,7,8,9-hexahydro-4H-benzo[e][1]benzothiole-9a-carboxylic acid Traditional Name: 5,5a,6,7,8,9-hexahydro-4H-benzo[e]benzothiophene-9a-carboxylic acid Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)CCC3=C2C=CS3)C(=O)O

Isomeric SMILES

C1CCC2(C(C1)CCC3=C2C=CS3)C(=O)O

InChI

InChI=1S/C13H16O2S/c14-12(15)13-7-2-1-3-9(13)4-5-11-10(13)6-8-16-11/h6,8-9H,1-5,7H2,(H,14,15)