5-octoxy-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-octoxy-1-benzothiophene-2-carboxylic acid Openeye Name: 5-octoxybenzothiophene-2-carboxylic acid CAS Name: 5-octoxy-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-octoxy-1-benzothiophene-2-carboxylic acid Traditional Name: 5-octoxybenzothiophene-2-carboxylic acid Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)SC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)SC(=C2)C(=O)O

InChI

InChI=1S/C17H22O3S/c1-2-3-4-5-6-7-10-20-14-8-9-15-13(11-14)12-16(21-15)17(18)19/h8-9,11-12H,2-7,10H2,1H3,(H,18,19)