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

Systemtic Name: bis[(2S)-2-methylhexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Openeye Name: bis[(2S)-2-methylhexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate CAS Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2S)-2-methylhexyl] ester IUPAC Name: bis[(2S)-2-methylhexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2S)-2-methylhexyl] ester Formula: C34H42O4 MolecularWeight: 514.69488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H42O4/c1-5-7-13-25(3)23-37-33(35)31-18-12-17-30(32(31)34(36)38-24-26(4)14-8-6-2)29-21-19-28(20-22-29)27-15-10-9-11-16-27/h9-12,15-22,25-26H,5-8,13-14,23-24H2,1-4H3/t25-,26-/m0/s1