2,2-dimethyl-5-oxidanylidene-4-[(E)-1-phenylprop-1-en-2-yl]furan-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-5-oxidanylidene-4-[(E)-1-phenylprop-1-en-2-yl]furan-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[(E)-1-methyl-2-phenyl-vinyl]-5-oxo-furan-3-carboxylic acid CAS Name: 2,2-dimethyl-5-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-3-furancarboxylic acid IUPAC Name: 2,2-dimethyl-5-oxo-4-[(E)-1-phenylprop-1-en-2-yl]furan-3-carboxylic acid Traditional Name: 5-keto-2,2-dimethyl-4-[(E)-1-methyl-2-phenyl-vinyl]-3-furoic acid Formula: C16H16O4 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C2=C(C(OC2=O)(C)C)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C2=C(C(OC2=O)(C)C)C(=O)O

InChI

InChI=1S/C16H16O4/c1-10(9-11-7-5-4-6-8-11)12-13(14(17)18)16(2,3)20-15(12)19/h4-9H,1-3H3,(H,17,18)/b10-9+