(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 3-methoxybenzoate

Systemtic Name: (3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 3-methoxybenzoate Openeye Name: (3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl) 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid (3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-hexyl-4,8-dimethyl-2-oxochromen-7-yl) 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid (3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C25H28O5 MolecularWeight: 408.48682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(=O)C3=CC(=CC=C3)OC)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(=O)C3=CC(=CC=C3)OC)C)OC1=O)C

InChI

InChI=1S/C25H28O5/c1-5-6-7-8-12-21-16(2)20-13-14-22(17(3)23(20)30-25(21)27)29-24(26)18-10-9-11-19(15-18)28-4/h9-11,13-15H,5-8,12H2,1-4H3