ethyl 4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromene-2-carboxylate

Systemtic Name: ethyl 4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 4-hydroxy-7-keto-3-phenoxy-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C18H18O6 MolecularWeight: 330.33192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2CCC(=O)CC2O1)O)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C2CCC(=O)CC2O1)O)OC3=CC=CC=C3

InChI

InChI=1S/C18H18O6/c1-2-22-18(21)17-16(23-12-6-4-3-5-7-12)15(20)13-9-8-11(19)10-14(13)24-17/h3-7,14,20H,2,8-10H2,1H3