3-[4-methyl-7-(3-methylbut-2-enoxy)-2-oxidanylidene-chromen-3-yl]propanoic acid

Systemtic Name: 3-[4-methyl-7-(3-methylbut-2-enoxy)-2-oxidanylidene-chromen-3-yl]propanoic acid Openeye Name: 3-[4-methyl-7-(3-methylbut-2-enoxy)-2-oxo-chromen-3-yl]propanoic acid CAS Name: 3-[4-methyl-7-(3-methylbut-2-enoxy)-2-oxo-1-benzopyran-3-yl]propanoic acid IUPAC Name: 3-[4-methyl-7-(3-methylbut-2-enoxy)-2-oxochromen-3-yl]propanoic acid Traditional Name: 3-[2-keto-4-methyl-7-(3-methylbut-2-enoxy)chromen-3-yl]propionic acid Formula: C18H20O5 MolecularWeight: 316.3484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC=C(C)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC=C(C)C)CCC(=O)O

InChI

InChI=1S/C18H20O5/c1-11(2)8-9-22-13-4-5-14-12(3)15(6-7-17(19)20)18(21)23-16(14)10-13/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,20)