4-[3-bromanyl-4-(6-methyloctoxy)phenyl]benzoic acid

Systemtic Name: 4-[3-bromanyl-4-(6-methyloctoxy)phenyl]benzoic acid Openeye Name: 4-[3-bromo-4-(6-methyloctoxy)phenyl]benzoic acid CAS Name: 4-[3-bromo-4-(6-methyloctoxy)phenyl]benzoic acid IUPAC Name: 4-[3-bromo-4-(6-methyloctoxy)phenyl]benzoic acid Traditional Name: 4-[3-bromo-4-(6-methyloctoxy)phenyl]benzoic acid Formula: C22H27BrO3 MolecularWeight: 419.35198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCC(C)CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C22H27BrO3/c1-3-16(2)7-5-4-6-14-26-21-13-12-19(15-20(21)23)17-8-10-18(11-9-17)22(24)25/h8-13,15-16H,3-7,14H2,1-2H3,(H,24,25)