(2S,3S)-3-(3,5-dinitrophenyl)-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol

Systemtic Name: (2S,3S)-3-(3,5-dinitrophenyl)-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol Openeye Name: (2S,3S)-3-(3,5-dinitrophenyl)-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydrobenzofuran-5-ol CAS Name: (2S,3S)-3-(3,5-dinitrophenyl)-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydrobenzofuran-5-ol IUPAC Name: (2S,3S)-3-(3,5-dinitrophenyl)-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol Traditional Name: (2S,3S)-3-(3,5-dinitrophenyl)-6-methoxy-2-(4-methoxyphenyl)coumaran-5-ol Formula: C22H18N2O8 MolecularWeight: 438.38692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC(=C(C=C3O2)OC)O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H](C3=CC(=C(C=C3O2)OC)O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O8/c1-30-16-5-3-12(4-6-16)22-21(17-10-18(25)20(31-2)11-19(17)32-22)13-7-14(23(26)27)9-15(8-13)24(28)29/h3-11,21-22,25H,1-2H3/t21-,22+/m0/s1