2-[3-(3-bromophenyl)-3-oxidanyl-prop-2-enoyl]-4-methyl-phenolate

Systemtic Name: 2-[3-(3-bromophenyl)-3-oxidanyl-prop-2-enoyl]-4-methyl-phenolate Openeye Name: 2-[3-(3-bromophenyl)-3-hydroxy-prop-2-enoyl]-4-methyl-phenolate CAS Name: 2-[3-(3-bromophenyl)-3-hydroxy-1-oxoprop-2-enyl]-4-methylphenolate IUPAC Name: 2-[3-(3-bromophenyl)-3-hydroxyprop-2-enoyl]-4-methylphenolate Traditional Name: 2-[3-(3-bromophenyl)-3-hydroxy-acryloyl]-4-methyl-phenolate Formula: C16H12BrO3- MolecularWeight: 332.16868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[O-])C(=O)C=C(C2=CC(=CC=C2)Br)O

Isomeric SMILES

CC1=CC(=C(C=C1)[O-])C(=O)C=C(C2=CC(=CC=C2)Br)O

InChI

InChI=1S/C16H13BrO3/c1-10-5-6-14(18)13(7-10)16(20)9-15(19)11-3-2-4-12(17)8-11/h2-9,18-19H,1H3/p-1