3-[2-(2-carboxyethyl)-7-oxidanyl-8-propyl-3,4-dihydrochromen-2-yl]propanoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-7-oxidanyl-8-propyl-3,4-dihydrochromen-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-7-hydroxy-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-7-hydroxy-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-7-hydroxy-8-propyl-3,4-dihydrochromen-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-7-hydroxy-8-propyl-chroman-2-yl]propionic acid Formula: C18H24O6 MolecularWeight: 336.37956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2)(CCC(=O)O)CCC(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2)(CCC(=O)O)CCC(=O)O)O

InChI

InChI=1S/C18H24O6/c1-2-3-13-14(19)5-4-12-6-9-18(24-17(12)13,10-7-15(20)21)11-8-16(22)23/h4-5,19H,2-3,6-11H2,1H3,(H,20,21)(H,22,23)