2,2-bis(4-bromophenyl)-3-methyl-pentanoate

Systemtic Name: 2,2-bis(4-bromophenyl)-3-methyl-pentanoate Openeye Name: 2,2-bis(4-bromophenyl)-3-methyl-pentanoate CAS Name: 2,2-bis(4-bromophenyl)-3-methylpentanoate IUPAC Name: 2,2-bis(4-bromophenyl)-3-methylpentanoate Traditional Name: 2,2-bis(4-bromophenyl)-3-methyl-valerate Formula: C18H17Br2O2- MolecularWeight: 425.13438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CCC(C)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C18H18Br2O2/c1-3-12(2)18(17(21)22,13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-12H,3H2,1-2H3,(H,21,22)/p-1