[(1R,2R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-1-phenylmethoxy-hexadecan-2-yl] 4-nitrobenzoate

Systemtic Name: [(1R,2R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-1-phenylmethoxy-hexadecan-2-yl] 4-nitrobenzoate Openeye Name: [(1R)-1-[(R)-benzyloxy-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]pentadecyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-1-phenylmethoxyhexadecan-2-yl] ester IUPAC Name: [(1R,2R)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-1-phenylmethoxyhexadecan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-[(R)-benzoxy-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]pentadecyl] ester Formula: C37H55NO7 MolecularWeight: 625.8351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C1COC(O1)(CC)CC)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@H]1COC(O1)(CC)CC)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C37H55NO7/c1-4-7-8-9-10-11-12-13-14-15-16-20-23-33(44-36(39)31-24-26-32(27-25-31)38(40)41)35(42-28-30-21-18-17-19-22-30)34-29-43-37(5-2,6-3)45-34/h17-19,21-22,24-27,33-35H,4-16,20,23,28-29H2,1-3H3/t33-,34-,35-/m1/s1