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

Systemtic Name: bis[(2S)-octan-2-yl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Openeye Name: bis[(1S)-1-methylheptyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate CAS Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2S)-octan-2-yl] ester IUPAC Name: bis[(2S)-octan-2-yl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(1S)-1-methylheptyl] ester Formula: C36H46O4 MolecularWeight: 542.74804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=CC(=C1C(=O)OC(C)CCCCCC)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C36H46O4/c1-5-7-9-12-17-27(3)39-35(37)33-22-16-21-32(34(33)36(38)40-28(4)18-13-10-8-6-2)31-25-23-30(24-26-31)29-19-14-11-15-20-29/h11,14-16,19-28H,5-10,12-13,17-18H2,1-4H3/t27-,28-/m0/s1