[2,3-bis(bromanyl)-4-pentyl-phenyl] 4-propoxycyclohexane-1-carboxylate

Systemtic Name: [2,3-bis(bromanyl)-4-pentyl-phenyl] 4-propoxycyclohexane-1-carboxylate Openeye Name: (2,3-dibromo-4-pentyl-phenyl) 4-propoxycyclohexanecarboxylate CAS Name: 4-propoxy-1-cyclohexanecarboxylic acid (2,3-dibromo-4-pentylphenyl) ester IUPAC Name: (2,3-dibromo-4-pentylphenyl) 4-propoxycyclohexane-1-carboxylate Traditional Name: 4-propoxycyclohexanecarboxylic acid (4-amyl-2,3-dibromo-phenyl) ester Formula: C21H30Br2O3 MolecularWeight: 490.2691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)OCCC)Br)Br

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)OCCC)Br)Br

InChI

InChI=1S/C21H30Br2O3/c1-3-5-6-7-15-10-13-18(20(23)19(15)22)26-21(24)16-8-11-17(12-9-16)25-14-4-2/h10,13,16-17H,3-9,11-12,14H2,1-2H3