3-(heptoxymethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(heptoxymethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(heptoxymethyl)benzothiophene-2-carboxylic acid CAS Name: 3-(heptoxymethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(heptoxymethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(heptoxymethyl)benzothiophene-2-carboxylic acid Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=C(SC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCCCOCC1=C(SC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C17H22O3S/c1-2-3-4-5-8-11-20-12-14-13-9-6-7-10-15(13)21-16(14)17(18)19/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,18,19)