methyl 6-hexyl-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: methyl 6-hexyl-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: methyl 6-hexyl-7-hydroxy-2-oxo-chromene-3-carboxylate CAS Name: 6-hexyl-7-hydroxy-2-oxo-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-hexyl-7-hydroxy-2-oxochromene-3-carboxylate Traditional Name: 6-hexyl-7-hydroxy-2-keto-chromene-3-carboxylic acid methyl ester Formula: C17H20O5 MolecularWeight: 304.3377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=O)OC)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=O)OC)O

InChI

InChI=1S/C17H20O5/c1-3-4-5-6-7-11-8-12-9-13(16(19)21-2)17(20)22-15(12)10-14(11)18/h8-10,18H,3-7H2,1-2H3