1-[4-(2-hydroxyethyloxy)-3-methoxy-5-nitro-phenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol

Systemtic Name: 1-[4-(2-hydroxyethyloxy)-3-methoxy-5-nitro-phenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol Openeye Name: 1-[4-(2-hydroxyethoxy)-3-methoxy-5-nitro-phenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol CAS Name: 1-[4-(2-hydroxyethoxy)-3-methoxy-5-nitrophenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol IUPAC Name: 1-[4-(2-hydroxyethoxy)-3-methoxy-5-nitrophenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol Traditional Name: 1-[4-(2-hydroxyethoxy)-3-methoxy-5-nitro-phenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol Formula: C22H29NO10 MolecularWeight: 467.46636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCO)[N+](=O)[O-])C(CCC(C2=CC(=C(C(=C2)OC)OC)OC)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCCO)[N+](=O)[O-])C(CCC(C2=CC(=C(C(=C2)OC)OC)OC)O)O

InChI

InChI=1S/C22H29NO10/c1-29-18-10-13(9-15(23(27)28)21(18)33-8-7-24)16(25)5-6-17(26)14-11-19(30-2)22(32-4)20(12-14)31-3/h9-12,16-17,24-26H,5-8H2,1-4H3