2-[3-chloranyl-4-oxidanyl-5-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-oxidanyl-5-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-hydroxy-5-[(E)-3-(4-isopropylphenyl)prop-2-enoyl]phenyl]acetic acid CAS Name: 2-[3-chloro-4-hydroxy-5-[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-hydroxy-5-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetic acid Traditional Name: 2-[3-chloro-4-hydroxy-5-[(E)-3-p-cumenylacryloyl]phenyl]acetic acid Formula: C20H19ClO4 MolecularWeight: 358.81546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)C2=CC(=CC(=C2O)Cl)CC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC(=C2O)Cl)CC(=O)O

InChI

InChI=1S/C20H19ClO4/c1-12(2)15-6-3-13(4-7-15)5-8-18(22)16-9-14(11-19(23)24)10-17(21)20(16)25/h3-10,12,25H,11H2,1-2H3,(H,23,24)/b8-5+