4-(3,4-dihydro-2H-chromen-6-yl)butanoate

Systemtic Name: 4-(3,4-dihydro-2H-chromen-6-yl)butanoate Openeye Name: 4-chroman-6-ylbutanoate CAS Name: 4-(3,4-dihydro-2H-1-benzopyran-6-yl)butanoate IUPAC Name: 4-(3,4-dihydro-2H-chromen-6-yl)butanoate Traditional Name: 4-chroman-6-ylbutyrate Formula: C13H15O3- MolecularWeight: 219.2564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CCCC(=O)[O-])OC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)CCCC(=O)[O-])OC1

InChI

InChI=1S/C13H16O3/c14-13(15)5-1-3-10-6-7-12-11(9-10)4-2-8-16-12/h6-7,9H,1-5,8H2,(H,14,15)/p-1