3-(3-butoxy-2-oxidanyl-4-oxidanylidene-chromen-6-yl)oxypropanoic acid

Systemtic Name: 3-(3-butoxy-2-oxidanyl-4-oxidanylidene-chromen-6-yl)oxypropanoic acid Openeye Name: 3-(3-butoxy-2-hydroxy-4-oxo-chromen-6-yl)oxypropanoic acid CAS Name: 3-[(3-butoxy-2-hydroxy-4-oxo-1-benzopyran-6-yl)oxy]propanoic acid IUPAC Name: 3-(3-butoxy-2-hydroxy-4-oxochromen-6-yl)oxypropanoic acid Traditional Name: 3-(3-butoxy-2-hydroxy-4-keto-chromen-6-yl)oxypropionic acid Formula: C16H18O7 MolecularWeight: 322.30992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(OC2=C(C1=O)C=C(C=C2)OCCC(=O)O)O

Isomeric SMILES

CCCCOC1=C(OC2=C(C1=O)C=C(C=C2)OCCC(=O)O)O

InChI

InChI=1S/C16H18O7/c1-2-3-7-22-15-14(19)11-9-10(21-8-6-13(17)18)4-5-12(11)23-16(15)20/h4-5,9,20H,2-3,6-8H2,1H3,(H,17,18)