[4-(2-chloranyl-3-methyl-pentoxy)carbonylphenyl] 4-(12-bromanyldodecoxy)benzoate

Systemtic Name: [4-(2-chloranyl-3-methyl-pentoxy)carbonylphenyl] 4-(12-bromanyldodecoxy)benzoate Openeye Name: [4-(2-chloro-3-methyl-pentoxy)carbonylphenyl] 4-(12-bromododecoxy)benzoate CAS Name: 4-(12-bromododecoxy)benzoic acid [4-[(2-chloro-3-methylpentoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(2-chloro-3-methylpentoxy)carbonylphenyl] 4-(12-bromododecoxy)benzoate Traditional Name: 4-(12-bromododecoxy)benzoic acid [4-(2-chloro-3-methyl-pentoxy)carbonylphenyl] ester Formula: C32H44BrClO5 MolecularWeight: 624.04576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCCCCCCCBr)Cl

Isomeric SMILES

CCC(C)C(COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCCCCCCCBr)Cl

InChI

InChI=1S/C32H44BrClO5/c1-3-25(2)30(34)24-38-31(35)26-16-20-29(21-17-26)39-32(36)27-14-18-28(19-15-27)37-23-13-11-9-7-5-4-6-8-10-12-22-33/h14-21,25,30H,3-13,22-24H2,1-2H3