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

Systemtic Name: bis[(2S)-decan-2-yl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Openeye Name: bis[(1S)-1-methylnonyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate CAS Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2S)-decan-2-yl] ester IUPAC Name: bis[(2S)-decan-2-yl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(1S)-1-methylnonyl] ester Formula: C40H54O4 MolecularWeight: 598.85436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)OC(=O)C1=CC=CC(=C1C(=O)OC(C)CCCCCCCC)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C40H54O4/c1-5-7-9-11-13-16-21-31(3)43-39(41)37-26-20-25-36(35-29-27-34(28-30-35)33-23-18-15-19-24-33)38(37)40(42)44-32(4)22-17-14-12-10-8-6-2/h15,18-20,23-32H,5-14,16-17,21-22H2,1-4H3/t31-,32-/m0/s1