(E)-21-hexadecyl-19,20,21-tris(oxidanyl)heptatriacont-9-en-18-one

Systemtic Name: (E)-21-hexadecyl-19,20,21-tris(oxidanyl)heptatriacont-9-en-18-one Openeye Name: (E)-21-hexadecyl-19,20,21-trihydroxy-heptatriacont-9-en-18-one CAS Name: (E)-21-hexadecyl-19,20,21-trihydroxy-9-heptatriaconten-18-one IUPAC Name: (E)-21-hexadecyl-19,20,21-trihydroxyheptatriacont-9-en-18-one Traditional Name: (E)-21-cetyl-19,20,21-trihydroxy-heptatriacont-9-en-18-one Formula: C53H104O4 MolecularWeight: 805.39046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(C(C(C(=O)CCCCCCCC=CCCCCCCCC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(C(C(C(=O)CCCCCCC/C=C/CCCCCCCC)O)O)O

InChI

InChI=1S/C53H104O4/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50(54)51(55)52(56)53(57,48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,28,51-52,55-57H,4-24,26-27,29-49H2,1-3H3/b28-25+