3-[(2S)-2,7-dimethyl-4-oxidanylidene-3H-chromen-2-yl]propanoic acid

Systemtic Name: 3-[(2S)-2,7-dimethyl-4-oxidanylidene-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[(2S)-2,7-dimethyl-4-oxo-chroman-2-yl]propanoic acid CAS Name: 3-[(2S)-2,7-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[(2S)-2,7-dimethyl-4-oxo-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[(2S)-4-keto-2,7-dimethyl-chroman-2-yl]propionic acid Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)CC(O2)(C)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C[C@](O2)(C)CCC(=O)O

InChI

InChI=1S/C14H16O4/c1-9-3-4-10-11(15)8-14(2,6-5-13(16)17)18-12(10)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,16,17)/t14-/m0/s1