tris(6-methylheptyl) benzene-1,2,3-tricarboxylate

Systemtic Name: tris(6-methylheptyl) benzene-1,2,3-tricarboxylate Openeye Name: tris(6-methylheptyl) benzene-1,2,3-tricarboxylate CAS Name: benzene-1,2,3-tricarboxylic acid tris(6-methylheptyl) ester IUPAC Name: tris(6-methylheptyl) benzene-1,2,3-tricarboxylate Traditional Name: benzene-1,2,3-tricarboxylic acid tris(6-methylheptyl) ester Formula: C33H54O6 MolecularWeight: 546.77826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=C(C(=CC=C1)C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCOC(=O)C1=C(C(=CC=C1)C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C

InChI

InChI=1S/C33H54O6/c1-25(2)17-10-7-13-22-37-31(34)28-20-16-21-29(32(35)38-23-14-8-11-18-26(3)4)30(28)33(36)39-24-15-9-12-19-27(5)6/h16,20-21,25-27H,7-15,17-19,22-24H2,1-6H3