(E)-3-[2,3-diethyl-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2,3-diethyl-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2,3-diethyl-4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2,3-diethyl-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2,3-diethyl-4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2,3-diethyl-4-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]acrylic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1CC)C=CC(=O)O)C=CC(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1CC)/C=C/C(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C16H18O4/c1-3-13-11(7-9-15(17)18)5-6-12(14(13)4-2)8-10-16(19)20/h5-10H,3-4H2,1-2H3,(H,17,18)(H,19,20)/b9-7+,10-8+