(2,2-dimethyl-4-oxidanylidene-7-pentyl-3H-chromen-5-yl) benzoate

Systemtic Name: (2,2-dimethyl-4-oxidanylidene-7-pentyl-3H-chromen-5-yl) benzoate Openeye Name: (2,2-dimethyl-4-oxo-7-pentyl-chroman-5-yl) benzoate CAS Name: benzoic acid (2,2-dimethyl-4-oxo-7-pentyl-3,4-dihydro-2H-1-benzopyran-5-yl) ester IUPAC Name: (2,2-dimethyl-4-oxo-7-pentyl-3H-chromen-5-yl) benzoate Traditional Name: benzoic acid (7-amyl-4-keto-2,2-dimethyl-chroman-5-yl) ester Formula: C23H26O4 MolecularWeight: 366.45014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C(=O)CC(O2)(C)C)C(=C1)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1=CC2=C(C(=O)CC(O2)(C)C)C(=C1)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26O4/c1-4-5-7-10-16-13-19(26-22(25)17-11-8-6-9-12-17)21-18(24)15-23(2,3)27-20(21)14-16/h6,8-9,11-14H,4-5,7,10,15H2,1-3H3