O2,O4-bis[(2S)-2-ethylhexyl] O1-[(2R)-2-ethylhexyl] benzene-1,2,4-tricarboxylate

Systemtic Name: O2,O4-bis[(2S)-2-ethylhexyl] O1-[(2R)-2-ethylhexyl] benzene-1,2,4-tricarboxylate Openeye Name: O2,O4-bis[(2S)-2-ethylhexyl] O1-[(2R)-2-ethylhexyl] benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid O2,O4-bis[(2S)-2-ethylhexyl] ester O1-[(2R)-2-ethylhexyl] ester IUPAC Name: 2-O,4-O-bis[(2S)-2-ethylhexyl] 1-O-[(2R)-2-ethylhexyl] benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid O2,O4-bis[(2S)-2-ethylhexyl] ester O1-[(2R)-2-ethylhexyl] ester Formula: C33H54O6 MolecularWeight: 546.77826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3/t25-,26+,27-/m0/s1