2-[(3-bromanyl-5-carboxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid

Systemtic Name: 2-[(3-bromanyl-5-carboxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-[(3-bromo-5-carboxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-[(3-bromo-5-carboxyphenyl)methoxy]-6-(2-mercaptoethyl)benzoic acid IUPAC Name: 2-[(3-bromo-5-carboxyphenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(3-bromo-5-carboxy-benzyl)oxy-6-(2-mercaptoethyl)benzoic acid Formula: C17H15BrO5S MolecularWeight: 411.267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OCC2=CC(=CC(=C2)C(=O)O)Br)C(=O)O)CCS

Isomeric SMILES

C1=CC(=C(C(=C1)OCC2=CC(=CC(=C2)C(=O)O)Br)C(=O)O)CCS

InChI

InChI=1S/C17H15BrO5S/c18-13-7-10(6-12(8-13)16(19)20)9-23-14-3-1-2-11(4-5-24)15(14)17(21)22/h1-3,6-8,24H,4-5,9H2,(H,19,20)(H,21,22)