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

Systemtic Name: 4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C16H13O6- MolecularWeight: 301.27082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C(OC2CC1=O)C(=O)[O-])OC3=CC=CC=C3)O

Isomeric SMILES

C1CC2=C(C(=C(OC2CC1=O)C(=O)[O-])OC3=CC=CC=C3)O

InChI

InChI=1S/C16H14O6/c17-9-6-7-11-12(8-9)22-15(16(19)20)14(13(11)18)21-10-4-2-1-3-5-10/h1-5,12,18H,6-8H2,(H,19,20)/p-1