tert-butyl (2S)-2-[(3R)-6-chloranyl-2,2-dimethyl-3,4-dihydrochromen-3-yl]-2-oxidanyl-ethanoate

Systemtic Name: tert-butyl (2S)-2-[(3R)-6-chloranyl-2,2-dimethyl-3,4-dihydrochromen-3-yl]-2-oxidanyl-ethanoate Openeye Name: tert-butyl (2S)-2-[(3R)-6-chloro-2,2-dimethyl-chroman-3-yl]-2-hydroxy-acetate CAS Name: (2S)-2-[(3R)-6-chloro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl]-2-hydroxyacetic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(3R)-6-chloro-2,2-dimethyl-3,4-dihydrochromen-3-yl]-2-hydroxyacetate Traditional Name: (2S)-2-[(3R)-6-chloro-2,2-dimethyl-chroman-3-yl]-2-hydroxy-acetic acid tert-butyl ester Formula: C17H23ClO4 MolecularWeight: 326.81512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(O1)C=CC(=C2)Cl)C(C(=O)OC(C)(C)C)O)C

Isomeric SMILES

CC1([C@H](CC2=C(O1)C=CC(=C2)Cl)[C@@H](C(=O)OC(C)(C)C)O)C

InChI

InChI=1S/C17H23ClO4/c1-16(2,3)22-15(20)14(19)12-9-10-8-11(18)6-7-13(10)21-17(12,4)5/h6-8,12,14,19H,9H2,1-5H3/t12-,14+/m1/s1