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5-[hexadecyl(hexanoyl)amino]thiophene-2-carboxylic acid

5-[hexadecyl(hexanoyl)amino]thiophene-2-carboxylic acid

Systemtic Name:5-[hexadecyl(hexanoyl)amino]thiophene-2-carboxylic acid
Openeye Name:5-[hexadecyl(hexanoyl)amino]thiophene-2-carboxylic acid
CAS Name:5-[hexadecyl(1-oxohexyl)amino]-2-thiophenecarboxylic acid
IUPAC Name:5-[hexadecyl(hexanoyl)amino]thiophene-2-carboxylic acid
Traditional Name:5-[caproyl(cetyl)amino]-2-thenoic acid
Formula: C27H47NO3S
MolecularWeight: 465.73198
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C1=CC=C(S1)C(=O)O)C(=O)CCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCN(C1=CC=C(S1)C(=O)O)C(=O)CCCCC


InChI

InChI=1S/C27H47NO3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-28(25(29)20-18-6-4-2)26-22-21-24(32-26)27(30)31/h21-22H,3-20,23H2,1-2H3,(H,30,31)


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