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

Systemtic Name: 2-[(2R,4R)-6-chloranyl-7-ethyl-2-methyl-4-oxidanyl-2,3-dihydrochromen-4-yl]ethanoic acid Openeye Name: 2-[(2R,4R)-6-chloro-7-ethyl-4-hydroxy-2-methyl-chroman-4-yl]acetic acid CAS Name: 2-[(2R,4R)-6-chloro-7-ethyl-4-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]acetic acid IUPAC Name: 2-[(2R,4R)-6-chloro-7-ethyl-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetic acid Traditional Name: 2-[(2R,4R)-6-chloro-7-ethyl-4-hydroxy-2-methyl-chroman-4-yl]acetic acid Formula: C14H17ClO4 MolecularWeight: 284.73538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)OC(CC2(CC(=O)O)O)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=C1)O[C@@H](C[C@]2(CC(=O)O)O)C)Cl

InChI

InChI=1S/C14H17ClO4/c1-3-9-4-12-10(5-11(9)15)14(18,7-13(16)17)6-8(2)19-12/h4-5,8,18H,3,6-7H2,1-2H3,(H,16,17)/t8-,14-/m1/s1