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

Systemtic Name: 6-hexyl-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 6-hexyl-7-hydroxy-2-oxo-chromene-3-carboxylate CAS Name: 6-hexyl-7-hydroxy-2-oxo-1-benzopyran-3-carboxylate IUPAC Name: 6-hexyl-7-hydroxy-2-oxochromene-3-carboxylate Traditional Name: 6-hexyl-7-hydroxy-2-keto-chromene-3-carboxylate Formula: C16H17O5- MolecularWeight: 289.30318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=O)[O-])O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=O)[O-])O

InChI

InChI=1S/C16H18O5/c1-2-3-4-5-6-10-7-11-8-12(15(18)19)16(20)21-14(11)9-13(10)17/h7-9,17H,2-6H2,1H3,(H,18,19)/p-1