2-[(2R,4R)-8-chloranyl-2-methyl-4-oxidanyl-2,3-dihydrochromen-4-yl]ethanoic acid

Systemtic Name: 2-[(2R,4R)-8-chloranyl-2-methyl-4-oxidanyl-2,3-dihydrochromen-4-yl]ethanoic acid Openeye Name: 2-[(2R,4R)-8-chloro-4-hydroxy-2-methyl-chroman-4-yl]acetic acid CAS Name: 2-[(2R,4R)-8-chloro-4-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]acetic acid IUPAC Name: 2-[(2R,4R)-8-chloro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetic acid Traditional Name: 2-[(2R,4R)-8-chloro-4-hydroxy-2-methyl-chroman-4-yl]acetic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(O1)C(=CC=C2)Cl)(CC(=O)O)O

Isomeric SMILES

C[C@@H]1C[C@](C2=C(O1)C(=CC=C2)Cl)(CC(=O)O)O

InChI

InChI=1S/C12H13ClO4/c1-7-5-12(16,6-10(14)15)8-3-2-4-9(13)11(8)17-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12-/m1/s1