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5-(2-butyloctadecanoyl)thiophene-2-carboxylic acid

5-(2-butyloctadecanoyl)thiophene-2-carboxylic acid

Systemtic Name:5-(2-butyloctadecanoyl)thiophene-2-carboxylic acid
Openeye Name:5-(2-butyloctadecanoyl)thiophene-2-carboxylic acid
CAS Name:5-(2-butyl-1-oxooctadecyl)-2-thiophenecarboxylic acid
IUPAC Name:5-(2-butyloctadecanoyl)thiophene-2-carboxylic acid
Traditional Name:5-(2-butyloctadecanoyl)-2-thenoic acid
Formula: C27H46O3S
MolecularWeight: 450.71734
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCC)C(=O)C1=CC=C(S1)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCC)C(=O)C1=CC=C(S1)C(=O)O


InChI

InChI=1S/C27H46O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19-6-4-2)26(28)24-21-22-25(31-24)27(29)30/h21-23H,3-20H2,1-2H3,(H,29,30)


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