2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl]-6-nitro-1-benzofuran

Systemtic Name: 2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl]-6-nitro-1-benzofuran Openeye Name: 2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2-thienyl]-6-nitro-benzofuran CAS Name: 2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2-thiophenyl]-6-nitrobenzofuran IUPAC Name: 2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl]-6-nitro-1-benzofuran Traditional Name: 2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2-thienyl]-6-nitro-benzofuran Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=CC=C(S2)C3=CC4=C(O3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(COC(OC1)C2=CC=C(S2)C3=CC4=C(O3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C18H17NO5S/c1-18(2)9-22-17(23-10-18)16-6-5-15(25-16)14-7-11-3-4-12(19(20)21)8-13(11)24-14/h3-8,17H,9-10H2,1-2H3