(E)-1-(1-hexadecoxypropan-2-yloxy)octadec-9-ene hydrate

Systemtic Name: (E)-1-(1-hexadecoxypropan-2-yloxy)octadec-9-ene hydrate Openeye Name: (E)-1-(2-hexadecoxy-1-methyl-ethoxy)octadec-9-ene hydrate CAS Name: (E)-1-(1-hexadecoxypropan-2-yloxy)-9-octadecene hydrate IUPAC Name: (E)-1-(1-hexadecoxypropan-2-yloxy)octadec-9-ene hydrate Traditional Name: (E)-1-(2-cetyloxy-1-methyl-ethoxy)octadec-9-ene hydrate Formula: C74H150O5 MolecularWeight: 1119.9798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C)OCCCCCCCCC=CCCCCCCCC.CCCCCCCCCCCCCCCCOCC(C)OCCCCCCCCC=CCCCCCCCC.O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(OCCCCCCCC/C=C/CCCCCCCC)C.CCCCCCCCCCCCCCCCOCC(OCCCCCCCC/C=C/CCCCCCCC)C.O

InChI

InChI=1S/2C37H74O2.H2O/c2*1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-39-37(3)36-38-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2;/h2*18,20,37H,4-17,19,21-36H2,1-3H3;1H2/b2*20-18+;