6-chloranyl-2-ethyl-4-oxidanyl-3,4-dihydrochromene-2-carboxylate

Systemtic Name: 6-chloranyl-2-ethyl-4-oxidanyl-3,4-dihydrochromene-2-carboxylate Openeye Name: 6-chloro-2-ethyl-4-hydroxy-chromane-2-carboxylate CAS Name: 6-chloro-2-ethyl-4-hydroxy-3,4-dihydro-2H-1-benzopyran-2-carboxylate IUPAC Name: 6-chloro-2-ethyl-4-hydroxy-3,4-dihydrochromene-2-carboxylate Traditional Name: 6-chloro-2-ethyl-4-hydroxy-chroman-2-carboxylate Formula: C12H12ClO4- MolecularWeight: 255.67428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(O1)C=CC(=C2)Cl)O)C(=O)[O-]

Isomeric SMILES

CCC1(CC(C2=C(O1)C=CC(=C2)Cl)O)C(=O)[O-]

InChI

InChI=1S/C12H13ClO4/c1-2-12(11(15)16)6-9(14)8-5-7(13)3-4-10(8)17-12/h3-5,9,14H,2,6H2,1H3,(H,15,16)/p-1