(5-oxidanylidene-1-phenoxy-hexan-3-yl) 3-[3-(3-methoxybutanoyloxy)pentanoyloxy]-5-(4-nitrophenoxy)pentanoate

Systemtic Name: (5-oxidanylidene-1-phenoxy-hexan-3-yl) 3-[3-(3-methoxybutanoyloxy)pentanoyloxy]-5-(4-nitrophenoxy)pentanoate Openeye Name: [3-oxo-1-(2-phenoxyethyl)butyl] 3-[3-(3-methoxybutanoyloxy)pentanoyloxy]-5-(4-nitrophenoxy)pentanoate CAS Name: 3-[3-(3-methoxy-1-oxobutoxy)-1-oxopentoxy]-5-(4-nitrophenoxy)pentanoic acid (5-oxo-1-phenoxyhexan-3-yl) ester IUPAC Name: (5-oxo-1-phenoxyhexan-3-yl) 3-[3-(3-methoxybutanoyloxy)pentanoyloxy]-5-(4-nitrophenoxy)pentanoate Traditional Name: 3-[3-(3-methoxybutanoyloxy)pentanoyloxy]-5-(4-nitrophenoxy)valeric acid [3-keto-1-(2-phenoxyethyl)butyl] ester Formula: C33H43NO12 MolecularWeight: 645.69402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC(CCOC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)OC(CCOC2=CC=CC=C2)CC(=O)C)OC(=O)CC(C)OC

Isomeric SMILES

CCC(CC(=O)OC(CCOC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)OC(CCOC2=CC=CC=C2)CC(=O)C)OC(=O)CC(C)OC

InChI

InChI=1S/C33H43NO12/c1-5-26(44-31(36)20-24(3)41-4)21-32(37)46-30(16-18-43-28-13-11-25(12-14-28)34(39)40)22-33(38)45-29(19-23(2)35)15-17-42-27-9-7-6-8-10-27/h6-14,24,26,29-30H,5,15-22H2,1-4H3