3-[(2S)-2,5,7-trimethyl-4-oxidanylidene-3H-chromen-2-yl]propanoate

Systemtic Name: 3-[(2S)-2,5,7-trimethyl-4-oxidanylidene-3H-chromen-2-yl]propanoate Openeye Name: 3-[(2S)-2,5,7-trimethyl-4-oxo-chroman-2-yl]propanoate CAS Name: 3-[(2S)-2,5,7-trimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]propanoate IUPAC Name: 3-[(2S)-2,5,7-trimethyl-4-oxo-3H-chromen-2-yl]propanoate Traditional Name: 3-[(2S)-4-keto-2,5,7-trimethyl-chroman-2-yl]propionate Formula: C15H17O4- MolecularWeight: 261.29308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=O)CC(OC2=C1)(C)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=O)C[C@](OC2=C1)(C)CCC(=O)[O-])C

InChI

InChI=1S/C15H18O4/c1-9-6-10(2)14-11(16)8-15(3,5-4-13(17)18)19-12(14)7-9/h6-7H,4-5,8H2,1-3H3,(H,17,18)/p-1/t15-/m0/s1