2-(3-methoxyphenyl)-2-[2-(3,4,5-trimethoxy-2-nitro-phenyl)ethyl]-1,3-oxathiolane

Systemtic Name: 2-(3-methoxyphenyl)-2-[2-(3,4,5-trimethoxy-2-nitro-phenyl)ethyl]-1,3-oxathiolane Openeye Name: 2-(3-methoxyphenyl)-2-[2-(3,4,5-trimethoxy-2-nitro-phenyl)ethyl]-1,3-oxathiolane CAS Name: 2-(3-methoxyphenyl)-2-[2-(3,4,5-trimethoxy-2-nitrophenyl)ethyl]-1,3-oxathiolane IUPAC Name: 2-(3-methoxyphenyl)-2-[2-(3,4,5-trimethoxy-2-nitrophenyl)ethyl]-1,3-oxathiolane Traditional Name: 2-(3-methoxyphenyl)-2-[2-(3,4,5-trimethoxy-2-nitro-phenyl)ethyl]-1,3-oxathiolane Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(OCCS2)CCC3=CC(=C(C(=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2(OCCS2)CCC3=CC(=C(C(=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C21H25NO7S/c1-25-16-7-5-6-15(13-16)21(29-10-11-30-21)9-8-14-12-17(26-2)19(27-3)20(28-4)18(14)22(23)24/h5-7,12-13H,8-11H2,1-4H3