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5-hexadecylthiophene-2-carboxylic acid; pentanamide

5-hexadecylthiophene-2-carboxylic acid; pentanamide

Systemtic Name:5-hexadecylthiophene-2-carboxylic acid; pentanamide
Openeye Name:5-hexadecylthiophene-2-carboxylic acid; pentanamide
CAS Name:5-hexadecyl-2-thiophenecarboxylic acid; pentanamide
IUPAC Name:5-hexadecylthiophene-2-carboxylic acid; pentanamide
Traditional Name:5-cetyl-2-thenoic acid; valeramide
Formula: C26H47NO3S
MolecularWeight: 453.72128
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=C(S1)C(=O)O.CCCCC(=O)N


Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=C(S1)C(=O)O.CCCCC(=O)N


InChI

InChI=1S/C21H36O2S.C5H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-20(24-19)21(22)23;1-2-3-4-5(6)7/h17-18H,2-16H2,1H3,(H,22,23);2-4H2,1H3,(H2,6,7)


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