(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-methoxybenzoate

Systemtic Name: (3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-methoxybenzoate Openeye Name: (3-hexyl-4-methyl-2-oxo-chromen-7-yl) 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid (3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-hexyl-4-methyl-2-oxochromen-7-yl) 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid (3-hexyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C24H26O5 MolecularWeight: 394.46024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O5/c1-4-5-6-7-11-21-16(2)20-13-12-19(15-22(20)29-24(21)26)28-23(25)17-9-8-10-18(14-17)27-3/h8-10,12-15H,4-7,11H2,1-3H3