6-methoxy-3-[(2R,3S)-4-(4-methoxy-3-phenylmethoxy-phenyl)-3-nitro-2-oxidanyl-butyl]-2,4-dimethyl-phenol

Systemtic Name: 6-methoxy-3-[(2R,3S)-4-(4-methoxy-3-phenylmethoxy-phenyl)-3-nitro-2-oxidanyl-butyl]-2,4-dimethyl-phenol Openeye Name: 3-[(2R,3S)-4-(3-benzyloxy-4-methoxy-phenyl)-2-hydroxy-3-nitro-butyl]-6-methoxy-2,4-dimethyl-phenol CAS Name: 3-[(2R,3S)-2-hydroxy-4-(4-methoxy-3-phenylmethoxyphenyl)-3-nitrobutyl]-6-methoxy-2,4-dimethylphenol IUPAC Name: 3-[(2R,3S)-2-hydroxy-4-(4-methoxy-3-phenylmethoxyphenyl)-3-nitrobutyl]-6-methoxy-2,4-dimethylphenol Traditional Name: 3-[(2R,3S)-4-(3-benzoxy-4-methoxy-phenyl)-2-hydroxy-3-nitro-butyl]-6-methoxy-2,4-dimethyl-phenol Formula: C27H31NO7 MolecularWeight: 481.53754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CC(C(CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)[N+](=O)[O-])O)C)O)OC

Isomeric SMILES

CC1=CC(=C(C(=C1C[C@H]([C@H](CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)[N+](=O)[O-])O)C)O)OC

InChI

InChI=1S/C27H31NO7/c1-17-12-26(34-4)27(30)18(2)21(17)15-23(29)22(28(31)32)13-20-10-11-24(33-3)25(14-20)35-16-19-8-6-5-7-9-19/h5-12,14,22-23,29-30H,13,15-16H2,1-4H3/t22-,23+/m0/s1