8-[5-(2-carboxyethyl)thiophen-2-yl]octanoic acid

Systemtic Name: 8-[5-(2-carboxyethyl)thiophen-2-yl]octanoic acid Openeye Name: 8-[5-(2-carboxyethyl)-2-thienyl]octanoic acid CAS Name: 8-[5-(2-carboxyethyl)-2-thiophenyl]octanoic acid IUPAC Name: 8-[5-(2-carboxyethyl)thiophen-2-yl]octanoic acid Traditional Name: 8-[5-(2-carboxyethyl)-2-thienyl]caprylic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)CCC(=O)O)CCCCCCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)CCC(=O)O)CCCCCCCC(=O)O

InChI

InChI=1S/C15H22O4S/c16-14(17)7-5-3-1-2-4-6-12-8-9-13(20-12)10-11-15(18)19/h8-9H,1-7,10-11H2,(H,16,17)(H,18,19)