heptyl thiophene-2-carboxylate

Systemtic Name: heptyl thiophene-2-carboxylate Openeye Name: heptyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid heptyl ester IUPAC Name: heptyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid heptyl ester Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=CS1

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=CS1

InChI

InChI=1S/C12H18O2S/c1-2-3-4-5-6-9-14-12(13)11-8-7-10-15-11/h7-8,10H,2-6,9H2,1H3