5-butyl-2-[(E)-3-oxidanyl-3-phenyl-prop-2-enoyl]benzoic acid

Systemtic Name: 5-butyl-2-[(E)-3-oxidanyl-3-phenyl-prop-2-enoyl]benzoic acid Openeye Name: 5-butyl-2-[(E)-3-hydroxy-3-phenyl-prop-2-enoyl]benzoic acid CAS Name: 5-butyl-2-[(E)-3-hydroxy-1-oxo-3-phenylprop-2-enyl]benzoic acid IUPAC Name: 5-butyl-2-[(E)-3-hydroxy-3-phenylprop-2-enoyl]benzoic acid Traditional Name: 5-butyl-2-[(E)-3-hydroxy-3-phenyl-acryloyl]benzoic acid Formula: C20H20O4 MolecularWeight: 324.3704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C(=O)C=C(C2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C(=O)/C=C(\C2=CC=CC=C2)/O)C(=O)O

InChI

InChI=1S/C20H20O4/c1-2-3-7-14-10-11-16(17(12-14)20(23)24)19(22)13-18(21)15-8-5-4-6-9-15/h4-6,8-13,21H,2-3,7H2,1H3,(H,23,24)/b18-13+