2-[(2R,4R)-6-chloranyl-2,7-dimethyl-4-oxidanyl-2,3-dihydrochromen-4-yl]ethanoic acid

Systemtic Name: 2-[(2R,4R)-6-chloranyl-2,7-dimethyl-4-oxidanyl-2,3-dihydrochromen-4-yl]ethanoic acid Openeye Name: 2-[(2R,4R)-6-chloro-4-hydroxy-2,7-dimethyl-chroman-4-yl]acetic acid CAS Name: 2-[(2R,4R)-6-chloro-4-hydroxy-2,7-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]acetic acid IUPAC Name: 2-[(2R,4R)-6-chloro-4-hydroxy-2,7-dimethyl-2,3-dihydrochromen-4-yl]acetic acid Traditional Name: 2-[(2R,4R)-6-chloro-4-hydroxy-2,7-dimethyl-chroman-4-yl]acetic acid Formula: C13H15ClO4 MolecularWeight: 270.7088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC(=C(C=C2O1)C)Cl)(CC(=O)O)O

Isomeric SMILES

C[C@@H]1C[C@](C2=CC(=C(C=C2O1)C)Cl)(CC(=O)O)O

InChI

InChI=1S/C13H15ClO4/c1-7-3-11-9(4-10(7)14)13(17,6-12(15)16)5-8(2)18-11/h3-4,8,17H,5-6H2,1-2H3,(H,15,16)/t8-,13-/m1/s1