1,2,4-tris[(4-propan-2-ylphenyl)methyl]cyclohexa-3,5-diene-1,2,3-tricarboxylate

Systemtic Name: 1,2,4-tris[(4-propan-2-ylphenyl)methyl]cyclohexa-3,5-diene-1,2,3-tricarboxylate Openeye Name: 1,2,4-tris[(4-isopropylphenyl)methyl]cyclohexa-3,5-diene-1,2,3-tricarboxylate CAS Name: 1,2,4-tris[(4-propan-2-ylphenyl)methyl]cyclohexa-3,5-diene-1,2,3-tricarboxylate IUPAC Name: 1,2,4-tris[(4-propan-2-ylphenyl)methyl]cyclohexa-3,5-diene-1,2,3-tricarboxylate Traditional Name: 1,2,4-tris(4-isopropylbenzyl)cyclohexa-3,5-diene-1,2,3-tricarboxylate Formula: C39H41O6-3 MolecularWeight: 605.73924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC2=C(C(C(C=C2)(CC3=CC=C(C=C3)C(C)C)C(=O)[O-])(CC4=CC=C(C=C4)C(C)C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC2=C(C(C(C=C2)(CC3=CC=C(C=C3)C(C)C)C(=O)[O-])(CC4=CC=C(C=C4)C(C)C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C39H44O6/c1-24(2)30-13-7-27(8-14-30)21-33-19-20-38(36(42)43,22-28-9-15-31(16-10-28)25(3)4)39(37(44)45,34(33)35(40)41)23-29-11-17-32(18-12-29)26(5)6/h7-20,24-26H,21-23H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)/p-3