9-(oxiran-2-yl)nonyl 3-[8-(3-octyloxiran-2-yl)oct-1-en-2-ylamino]benzoate

Systemtic Name: 9-(oxiran-2-yl)nonyl 3-[8-(3-octyloxiran-2-yl)oct-1-en-2-ylamino]benzoate Openeye Name: 9-(oxiran-2-yl)nonyl 3-[[1-methylene-7-(3-octyloxiran-2-yl)heptyl]amino]benzoate CAS Name: 3-[8-(3-octyl-2-oxiranyl)oct-1-en-2-ylamino]benzoic acid 9-(2-oxiranyl)nonyl ester IUPAC Name: 9-(oxiran-2-yl)nonyl 3-[8-(3-octyloxiran-2-yl)oct-1-en-2-ylamino]benzoate Traditional Name: 3-[1-[6-(3-octyloxiran-2-yl)hexyl]vinylamino]benzoic acid 9-(oxiran-2-yl)nonyl ester Formula: C36H59NO4 MolecularWeight: 569.85796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(O1)CCCCCCC(=C)NC2=CC=CC(=C2)C(=O)OCCCCCCCCCC3CO3

Isomeric SMILES

CCCCCCCCC1C(O1)CCCCCCC(=C)NC2=CC=CC(=C2)C(=O)OCCCCCCCCCC3CO3

InChI

InChI=1S/C36H59NO4/c1-3-4-5-6-11-17-25-34-35(41-34)26-18-13-12-15-21-30(2)37-32-23-20-22-31(28-32)36(38)39-27-19-14-9-7-8-10-16-24-33-29-40-33/h20,22-23,28,33-35,37H,2-19,21,24-27,29H2,1H3