3-[3,5-bis(bromanyl)-4-[(2-methylphenyl)methoxy]phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-[(2-methylphenyl)methoxy]phenyl]propanoic acid Openeye Name: 3-[3,5-dibromo-4-(o-tolylmethoxy)phenyl]propanoic acid CAS Name: 3-[3,5-dibromo-4-[(2-methylphenyl)methoxy]phenyl]propanoic acid IUPAC Name: 3-[3,5-dibromo-4-[(2-methylphenyl)methoxy]phenyl]propanoic acid Traditional Name: 3-[3,5-dibromo-4-(2-methylbenzyl)oxy-phenyl]propionic acid Formula: C17H16Br2O3 MolecularWeight: 428.11514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=C(C=C(C=C2Br)CCC(=O)O)Br

Isomeric SMILES

CC1=CC=CC=C1COC2=C(C=C(C=C2Br)CCC(=O)O)Br

InChI

InChI=1S/C17H16Br2O3/c1-11-4-2-3-5-13(11)10-22-17-14(18)8-12(9-15(17)19)6-7-16(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)