(2-oxidanylidene-10-phenoxy-decan-4-yl) 3-[3-[3-(3-methoxybutanoyloxy)pentanoyloxy]-5-phenoxy-pentanoyl]oxy-7-phenoxy-heptanoate

Systemtic Name: (2-oxidanylidene-10-phenoxy-decan-4-yl) 3-[3-[3-(3-methoxybutanoyloxy)pentanoyloxy]-5-phenoxy-pentanoyl]oxy-7-phenoxy-heptanoate Openeye Name: (1-acetonyl-7-phenoxy-heptyl) 3-[3-[3-(3-methoxybutanoyloxy)pentanoyloxy]-5-phenoxy-pentanoyl]oxy-7-phenoxy-heptanoate CAS Name: 3-[3-[3-(3-methoxy-1-oxobutoxy)-1-oxopentoxy]-1-oxo-5-phenoxypentoxy]-7-phenoxyheptanoic acid (2-oxo-10-phenoxydecan-4-yl) ester IUPAC Name: (2-oxo-10-phenoxydecan-4-yl) 3-[3-[3-(3-methoxybutanoyloxy)pentanoyloxy]-5-phenoxypentanoyl]oxy-7-phenoxyheptanoate Traditional Name: 3-[3-[3-(3-methoxybutanoyloxy)pentanoyloxy]-5-phenoxy-pentanoyl]oxy-7-phenoxy-enanthic acid (1-acetonyl-7-phenoxy-heptyl) ester Formula: C50H68O13 MolecularWeight: 877.06712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC(CCOC1=CC=CC=C1)CC(=O)OC(CCCCOC2=CC=CC=C2)CC(=O)OC(CCCCCCOC3=CC=CC=C3)CC(=O)C)OC(=O)CC(C)OC

Isomeric SMILES

CCC(CC(=O)OC(CCOC1=CC=CC=C1)CC(=O)OC(CCCCOC2=CC=CC=C2)CC(=O)OC(CCCCCCOC3=CC=CC=C3)CC(=O)C)OC(=O)CC(C)OC

InChI

InChI=1S/C50H68O13/c1-5-40(60-47(52)34-39(3)56-4)35-48(53)63-46(29-32-59-43-25-16-10-17-26-43)37-50(55)62-45(28-18-20-31-58-42-23-14-9-15-24-42)36-49(54)61-44(33-38(2)51)27-11-6-7-19-30-57-41-21-12-8-13-22-41/h8-10,12-17,21-26,39-40,44-46H,5-7,11,18-20,27-37H2,1-4H3