(3S)-3-[4-[(3-bromophenyl)methoxy]phenyl]hex-4-ynoic acid

Systemtic Name: (3S)-3-[4-[(3-bromophenyl)methoxy]phenyl]hex-4-ynoic acid Openeye Name: (3S)-3-[4-[(3-bromophenyl)methoxy]phenyl]hex-4-ynoic acid CAS Name: (3S)-3-[4-[(3-bromophenyl)methoxy]phenyl]-4-hexynoic acid IUPAC Name: (3S)-3-[4-[(3-bromophenyl)methoxy]phenyl]hex-4-ynoic acid Traditional Name: (3S)-3-[4-(3-bromobenzyl)oxyphenyl]hex-4-ynoic acid Formula: C19H17BrO3 MolecularWeight: 373.24048

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(CC(=O)O)C1=CC=C(C=C1)OCC2=CC(=CC=C2)Br

Isomeric SMILES

CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CC(=CC=C2)Br

InChI

InChI=1S/C19H17BrO3/c1-2-4-16(12-19(21)22)15-7-9-18(10-8-15)23-13-14-5-3-6-17(20)11-14/h3,5-11,16H,12-13H2,1H3,(H,21,22)/t16-/m0/s1