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2-(3-bromophenyl)-2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]ethanoic acid

2-(3-bromophenyl)-2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]ethanoic acid

Systemtic Name:2-(3-bromophenyl)-2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]ethanoic acid
Openeye Name:2-(3-bromophenyl)-2-[4-(hydroxymethyl)-2,6-dipropyl-phenoxy]acetic acid
CAS Name:2-(3-bromophenyl)-2-[4-(hydroxymethyl)-2,6-dipropylphenoxy]acetic acid
IUPAC Name:2-(3-bromophenyl)-2-[4-(hydroxymethyl)-2,6-dipropylphenoxy]acetic acid
Traditional Name:2-(3-bromophenyl)-2-(4-methylol-2,6-dipropyl-phenoxy)acetic acid
Formula: C21H25BrO4
MolecularWeight: 421.3248
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OC(C2=CC(=CC=C2)Br)C(=O)O)CCC)CO


Isomeric SMILES

CCCC1=CC(=CC(=C1OC(C2=CC(=CC=C2)Br)C(=O)O)CCC)CO


InChI

InChI=1S/C21H25BrO4/c1-3-6-15-10-14(13-23)11-16(7-4-2)19(15)26-20(21(24)25)17-8-5-9-18(22)12-17/h5,8-12,20,23H,3-4,6-7,13H2,1-2H3,(H,24,25)


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