tris[(E)-tetradec-4-enyl] benzene-1,2,4-tricarboxylate

Systemtic Name: tris[(E)-tetradec-4-enyl] benzene-1,2,4-tricarboxylate Openeye Name: tris[(E)-tetradec-4-enyl] benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid tris[(E)-tetradec-4-enyl] ester IUPAC Name: tris[(E)-tetradec-4-enyl] benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid tris[(E)-tetradec-4-enyl] ester Formula: C51H84O6 MolecularWeight: 793.20906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCC=CCCCCCCCCC)C(=O)OCCCC=CCCCCCCCCC

Isomeric SMILES

CCCCCCCCC/C=C/CCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCC/C=C/CCCCCCCCC)C(=O)OCCC/C=C/CCCCCCCCC

InChI

InChI=1S/C51H84O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-42-55-49(52)46-40-41-47(50(53)56-43-38-35-32-29-26-23-20-17-14-11-8-5-2)48(45-46)51(54)57-44-39-36-33-30-27-24-21-18-15-12-9-6-3/h28-33,40-41,45H,4-27,34-39,42-44H2,1-3H3/b31-28+,32-29+,33-30+