[(3R,6S)-3,4,5-triacetyloxy-6-[4-[3-(4-nitrophenyl)propanoyl]-3,5-bis(oxidanyl)phenoxy]oxan-2-yl]methyl ethanoate

Systemtic Name: [(3R,6S)-3,4,5-triacetyloxy-6-[4-[3-(4-nitrophenyl)propanoyl]-3,5-bis(oxidanyl)phenoxy]oxan-2-yl]methyl ethanoate Openeye Name: [(3R,6S)-3,4,5-triacetoxy-6-[3,5-dihydroxy-4-[3-(4-nitrophenyl)propanoyl]phenoxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(3R,6S)-3,4,5-triacetyloxy-6-[3,5-dihydroxy-4-[3-(4-nitrophenyl)-1-oxopropyl]phenoxy]-2-oxanyl]methyl ester IUPAC Name: [(3R,6S)-3,4,5-triacetyloxy-6-[3,5-dihydroxy-4-[3-(4-nitrophenyl)propanoyl]phenoxy]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(3R,6S)-3,4,5-triacetoxy-6-[3,5-dihydroxy-4-[3-(4-nitrophenyl)propanoyl]phenoxy]tetrahydropyran-2-yl]methyl ester Formula: C29H31NO15 MolecularWeight: 633.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C(C(=C2)O)C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-])O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1[C@H](C(C([C@@H](O1)OC2=CC(=C(C(=C2)O)C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-])O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H31NO15/c1-14(31)40-13-24-26(41-15(2)32)27(42-16(3)33)28(43-17(4)34)29(45-24)44-20-11-22(36)25(23(37)12-20)21(35)10-7-18-5-8-19(9-6-18)30(38)39/h5-6,8-9,11-12,24,26-29,36-37H,7,10,13H2,1-4H3/t24?,26-,27?,28?,29-/m1/s1