1-[4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-3-nitro-phenyl]ethanone Formula: C18H17NO5S2 MolecularWeight: 391.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)C3SCCS3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)C3SCCS3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5S2/c1-11(20)12-3-5-15(14(9-12)19(21)22)24-16-6-4-13(10-17(16)23-2)18-25-7-8-26-18/h3-6,9-10,18H,7-8H2,1-2H3