4-[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoate

Systemtic Name: 4-[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoate Openeye Name: 4-[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]butanoate CAS Name: 4-[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoate IUPAC Name: 4-[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoate Traditional Name: 4-[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]butyrate Formula: C18H26BrO3- MolecularWeight: 370.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)[O-])Br

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)[O-])Br

InChI

InChI=1S/C18H27BrO3/c1-17(2,3)12-18(4,5)13-8-9-15(14(19)11-13)22-10-6-7-16(20)21/h8-9,11H,6-7,10,12H2,1-5H3,(H,20,21)/p-1