6-(4-bromophenyl)-2-(3-methylphenyl)-6-oxidanylidene-hex-4-ynoic acid

Systemtic Name: 6-(4-bromophenyl)-2-(3-methylphenyl)-6-oxidanylidene-hex-4-ynoic acid Openeye Name: 6-(4-bromophenyl)-2-(m-tolyl)-6-oxo-hex-4-ynoic acid CAS Name: 6-(4-bromophenyl)-2-(3-methylphenyl)-6-oxo-4-hexynoic acid IUPAC Name: 6-(4-bromophenyl)-2-(3-methylphenyl)-6-oxohex-4-ynoic acid Traditional Name: 6-(4-bromophenyl)-6-keto-2-(m-tolyl)hex-4-ynoic acid Formula: C19H15BrO3 MolecularWeight: 371.2246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC#CC(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC#CC(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C19H15BrO3/c1-13-4-2-5-15(12-13)17(19(22)23)6-3-7-18(21)14-8-10-16(20)11-9-14/h2,4-5,8-12,17H,6H2,1H3,(H,22,23)