[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(2,4-dihydroxyphenyl)-2-oxo-ethyl] 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(2,4-dihydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [2-(2,4-dihydroxyphenyl)-2-keto-ethyl] ester Formula: C18H15ClO6 MolecularWeight: 362.7611

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)C3=C(C=C(C=C3)O)O

Isomeric SMILES

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C18H15ClO6/c19-12-1-4-17-10(6-12)5-11(8-24-17)18(23)25-9-16(22)14-3-2-13(20)7-15(14)21/h1-4,6-7,11,20-21H,5,8-9H2