3-(2-carboxyethylsulfanyl)-3-[3-(8-phenyloctyl)thiophen-2-yl]propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-[3-(8-phenyloctyl)thiophen-2-yl]propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-[3-(8-phenyloctyl)-2-thienyl]propanoic acid CAS Name: 3-(2-carboxyethylthio)-3-[3-(8-phenyloctyl)-2-thiophenyl]propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-[3-(8-phenyloctyl)thiophen-2-yl]propanoic acid Traditional Name: 3-(2-carboxyethylthio)-3-[3-(8-phenyloctyl)-2-thienyl]propionic acid Formula: C24H32O4S2 MolecularWeight: 448.63848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=C(SC=C2)C(CC(=O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=C(SC=C2)C(CC(=O)O)SCCC(=O)O

InChI

InChI=1S/C24H32O4S2/c25-22(26)15-17-29-21(18-23(27)28)24-20(14-16-30-24)13-9-4-2-1-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-12,14,16,21H,1-4,6,9-10,13,15,17-18H2,(H,25,26)(H,27,28)