6-heptoxy-5-methoxy-1-benzothiophene-2-carboxylic acid

Systemtic Name: 6-heptoxy-5-methoxy-1-benzothiophene-2-carboxylic acid Openeye Name: 6-heptoxy-5-methoxy-benzothiophene-2-carboxylic acid CAS Name: 6-heptoxy-5-methoxy-1-benzothiophene-2-carboxylic acid IUPAC Name: 6-heptoxy-5-methoxy-1-benzothiophene-2-carboxylic acid Traditional Name: 6-heptoxy-5-methoxy-benzothiophene-2-carboxylic acid Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C=C(SC2=C1)C(=O)O)OC

Isomeric SMILES

CCCCCCCOC1=C(C=C2C=C(SC2=C1)C(=O)O)OC

InChI

InChI=1S/C17H22O4S/c1-3-4-5-6-7-8-21-14-11-15-12(9-13(14)20-2)10-16(22-15)17(18)19/h9-11H,3-8H2,1-2H3,(H,18,19)