(E)-5-heptadecyl-1-oxidanyl-4-pentadecyl-tricos-14-en-2-olate

Systemtic Name: (E)-5-heptadecyl-1-oxidanyl-4-pentadecyl-tricos-14-en-2-olate Openeye Name: (E)-5-heptadecyl-1-hydroxy-4-pentadecyl-tricos-14-en-2-olate CAS Name: (E)-5-heptadecyl-1-hydroxy-4-pentadecyl-14-tricosen-2-olate IUPAC Name: (E)-5-heptadecyl-1-hydroxy-4-pentadecyltricos-14-en-2-olate Traditional Name: (E)-5-heptadecyl-1-hydroxy-4-pentadecyl-tricos-14-en-2-olate Formula: C55H109O2- MolecularWeight: 802.45276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)C(CCCCCCCCCCCCCCC)CC(CO)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCC/C=C/CCCCCCCC)C(CCCCCCCCCCCCCCC)CC(CO)[O-]

InChI

InChI=1S/C55H109O2/c1-4-7-10-13-16-19-22-25-27-29-32-34-37-40-43-46-49-53(48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2)54(51-55(57)52-56)50-47-44-41-38-35-30-24-21-18-15-12-9-6-3/h25,27,53-56H,4-24,26,28-52H2,1-3H3/q-1/b27-25+