5-propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Openeye Name: 5-propyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid CAS Name: 5-propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Traditional Name: 5-propyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)C=C(S2)C(=O)O

Isomeric SMILES

CCCC1CCC2=C(C1)C=C(S2)C(=O)O

InChI

InChI=1S/C12H16O2S/c1-2-3-8-4-5-10-9(6-8)7-11(15-10)12(13)14/h7-8H,2-6H2,1H3,(H,13,14)