[(3Z,6E)-1-[2-(tert-butylamino)-1-phenyl-ethoxy]-3-octadecanoyloxy-1-oxidanylidene-octa-3,6-dien-4-yl] octadecanoate

Systemtic Name: [(3Z,6E)-1-[2-(tert-butylamino)-1-phenyl-ethoxy]-3-octadecanoyloxy-1-oxidanylidene-octa-3,6-dien-4-yl] octadecanoate Openeye Name: [(E,1Z)-1-[3-[2-(tert-butylamino)-1-phenyl-ethoxy]-1-octadecanoyloxy-3-oxo-propylidene]pent-3-enyl] octadecanoate CAS Name: octadecanoic acid [(3Z,6E)-1-[2-(tert-butylamino)-1-phenylethoxy]-1-oxo-3-(1-oxooctadecoxy)octa-3,6-dien-4-yl] ester IUPAC Name: [(3Z,6E)-1-[2-(tert-butylamino)-1-phenylethoxy]-3-octadecanoyloxy-1-oxoocta-3,6-dien-4-yl] octadecanoate Traditional Name: stearic acid [(E,1Z)-1-[3-[2-(tert-butylamino)-1-phenyl-ethoxy]-3-keto-1-stearoyloxy-propylidene]pent-3-enyl] ester Formula: C56H97NO6 MolecularWeight: 880.37248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(=C(CC(=O)OC(CNC(C)(C)C)C1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCC)CC=CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O/C(=C(/CC(=O)OC(CNC(C)(C)C)C1=CC=CC=C1)\OC(=O)CCCCCCCCCCCCCCCCC)/C/C=C/C

InChI

InChI=1S/C56H97NO6/c1-7-10-13-15-17-19-21-23-25-27-29-31-33-35-40-45-53(58)61-50(44-12-9-3)51(47-55(60)63-52(48-57-56(4,5)6)49-42-38-37-39-43-49)62-54(59)46-41-36-34-32-30-28-26-24-22-20-18-16-14-11-8-2/h9,12,37-39,42-43,52,57H,7-8,10-11,13-36,40-41,44-48H2,1-6H3/b12-9+,51-50-