3-[7,7-bis(bromanyl)-2-butyl-heptyl]-3-propyl-tridecan-2-one

Systemtic Name: 3-[7,7-bis(bromanyl)-2-butyl-heptyl]-3-propyl-tridecan-2-one Openeye Name: 3-(7,7-dibromo-2-butyl-heptyl)-3-propyl-tridecan-2-one CAS Name: 3-(7,7-dibromo-2-butylheptyl)-3-propyl-2-tridecanone IUPAC Name: 3-(7,7-dibromo-2-butylheptyl)-3-propyltridecan-2-one Traditional Name: 3-(7,7-dibromo-2-butyl-heptyl)-3-propyl-tridecan-2-one Formula: C27H52Br2O MolecularWeight: 552.50918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCC)(CC(CCCC)CCCCC(Br)Br)C(=O)C

Isomeric SMILES

CCCCCCCCCCC(CCC)(CC(CCCC)CCCCC(Br)Br)C(=O)C

InChI

InChI=1S/C27H52Br2O/c1-5-8-10-11-12-13-14-17-22-27(21-7-3,24(4)30)23-25(18-9-6-2)19-15-16-20-26(28)29/h25-26H,5-23H2,1-4H3