2-(5-bromanyl-2-undecoxy-phenyl)-2-(carboxymethylsulfanyl)ethanoic acid

Systemtic Name: 2-(5-bromanyl-2-undecoxy-phenyl)-2-(carboxymethylsulfanyl)ethanoic acid Openeye Name: 2-(5-bromo-2-undecoxy-phenyl)-2-(carboxymethylsulfanyl)acetic acid CAS Name: 2-(5-bromo-2-undecoxyphenyl)-2-(carboxymethylthio)acetic acid IUPAC Name: 2-(5-bromo-2-undecoxyphenyl)-2-(carboxymethylsulfanyl)acetic acid Traditional Name: 2-(5-bromo-2-undecoxy-phenyl)-2-(carboxymethylthio)acetic acid Formula: C21H31BrO5S MolecularWeight: 475.43684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31BrO5S/c1-2-3-4-5-6-7-8-9-10-13-27-18-12-11-16(22)14-17(18)20(21(25)26)28-15-19(23)24/h11-12,14,20H,2-10,13,15H2,1H3,(H,23,24)(H,25,26)