O1,O3-bis(but-3-enyl) O2-hepta-1,6-dien-4-yl 2-cyanopropane-1,2,3-tricarboxylate

Systemtic Name: O1,O3-bis(but-3-enyl) O2-hepta-1,6-dien-4-yl 2-cyanopropane-1,2,3-tricarboxylate Openeye Name: O2-(1-allylbut-3-enyl) O1,O3-bis(but-3-enyl) 2-cyanopropane-1,2,3-tricarboxylate CAS Name: 2-cyanopropane-1,2,3-tricarboxylic acid O1,O3-bis(but-3-enyl) ester O2-hepta-1,6-dien-4-yl ester IUPAC Name: 1-O,3-O-bis(but-3-enyl) 2-O-hepta-1,6-dien-4-yl 2-cyanopropane-1,2,3-tricarboxylate Traditional Name: 2-cyanopropane-1,2,3-tricarboxylic acid O2-(1-allylbut-3-enyl) ester O1,O3-bis(but-3-enyl) ester Formula: C22H29NO6 MolecularWeight: 403.46876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCOC(=O)CC(CC(=O)OCCC=C)(C#N)C(=O)OC(CC=C)CC=C

Isomeric SMILES

C=CCCOC(=O)CC(CC(=O)OCCC=C)(C#N)C(=O)OC(CC=C)CC=C

InChI

InChI=1S/C22H29NO6/c1-5-9-13-27-19(24)15-22(17-23,16-20(25)28-14-10-6-2)21(26)29-18(11-7-3)12-8-4/h5-8,18H,1-4,9-16H2