3-[(5-bromanyl-2-undecoxy-phenyl)-(2-carboxyethylsulfanyl)methyl]sulfanylpropanoic acid

Systemtic Name: 3-[(5-bromanyl-2-undecoxy-phenyl)-(2-carboxyethylsulfanyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[(5-bromo-2-undecoxy-phenyl)-(2-carboxyethylsulfanyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(5-bromo-2-undecoxyphenyl)-(2-carboxyethylthio)methyl]thio]propanoic acid IUPAC Name: 3-[(5-bromo-2-undecoxyphenyl)-(2-carboxyethylsulfanyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(5-bromo-2-undecoxy-phenyl)-(2-carboxyethylthio)methyl]thio]propionic acid Formula: C24H37BrO5S2 MolecularWeight: 549.58158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C=C(C=C1)Br)C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCOC1=C(C=C(C=C1)Br)C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C24H37BrO5S2/c1-2-3-4-5-6-7-8-9-10-15-30-21-12-11-19(25)18-20(21)24(31-16-13-22(26)27)32-17-14-23(28)29/h11-12,18,24H,2-10,13-17H2,1H3,(H,26,27)(H,28,29)