3-[7-[3-(4-bromanylphenoxy)propoxy]-2-(2-carboxyethyl)-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoic acid

Systemtic Name: 3-[7-[3-(4-bromanylphenoxy)propoxy]-2-(2-carboxyethyl)-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[7-[3-(4-bromophenoxy)propoxy]-2-(2-carboxyethyl)-4-oxo-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[7-[3-(4-bromophenoxy)propoxy]-2-(2-carboxyethyl)-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[7-[3-(4-bromophenoxy)propoxy]-2-(2-carboxyethyl)-4-oxo-8-propyl-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[7-[3-(4-bromophenoxy)propoxy]-2-(2-carboxyethyl)-4-keto-8-propyl-chroman-2-yl]propionic acid Formula: C27H31BrO8 MolecularWeight: 563.43424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2=O)(CCC(=O)O)CCC(=O)O)OCCCOC3=CC=C(C=C3)Br

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2=O)(CCC(=O)O)CCC(=O)O)OCCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C27H31BrO8/c1-2-4-21-23(35-16-3-15-34-19-7-5-18(28)6-8-19)10-9-20-22(29)17-27(36-26(20)21,13-11-24(30)31)14-12-25(32)33/h5-10H,2-4,11-17H2,1H3,(H,30,31)(H,32,33)