2-[(2S)-2,6-dimethyl-4-oxidanylidene-3H-chromen-2-yl]ethanoate

Systemtic Name: 2-[(2S)-2,6-dimethyl-4-oxidanylidene-3H-chromen-2-yl]ethanoate Openeye Name: 2-[(2S)-2,6-dimethyl-4-oxo-chroman-2-yl]acetate CAS Name: 2-[(2S)-2,6-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]acetate IUPAC Name: 2-[(2S)-2,6-dimethyl-4-oxo-3H-chromen-2-yl]acetate Traditional Name: 2-[(2S)-4-keto-2,6-dimethyl-chroman-2-yl]acetate Formula: C13H13O4- MolecularWeight: 233.23992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CC2=O)(C)CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@](CC2=O)(C)CC(=O)[O-]

InChI

InChI=1S/C13H14O4/c1-8-3-4-11-9(5-8)10(14)6-13(2,17-11)7-12(15)16/h3-5H,6-7H2,1-2H3,(H,15,16)/p-1/t13-/m0/s1