(3-butyl-2-oxidanylidene-chromen-4-yl) pentanoate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) pentanoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) pentanoate CAS Name: pentanoic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) pentanoate Traditional Name: valeric acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C18H22O4 MolecularWeight: 302.36488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)CCCC

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)CCCC

InChI

InChI=1S/C18H22O4/c1-3-5-9-14-17(22-16(19)12-6-4-2)13-10-7-8-11-15(13)21-18(14)20/h7-8,10-11H,3-6,9,12H2,1-2H3