bis[(2S)-2-chloranylhexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate

Systemtic Name: bis[(2S)-2-chloranylhexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Openeye Name: bis[(2S)-2-chlorohexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate CAS Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2S)-2-chlorohexyl] ester IUPAC Name: bis[(2S)-2-chlorohexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2S)-2-chlorohexyl] ester Formula: C32H36Cl2O4 MolecularWeight: 555.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(COC(=O)C1=CC=CC(=C1C(=O)OCC(CCCC)Cl)C2=CC=C(C=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCC[C@@H](COC(=O)C1=CC=CC(=C1C(=O)OC[C@H](CCCC)Cl)C2=CC=C(C=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C32H36Cl2O4/c1-3-5-13-26(33)21-37-31(35)29-16-10-15-28(30(29)32(36)38-22-27(34)14-6-4-2)25-19-17-24(18-20-25)23-11-8-7-9-12-23/h7-12,15-20,26-27H,3-6,13-14,21-22H2,1-2H3/t26-,27-/m0/s1