2-(4-methoxyphenyl)-7-(4-nitrophenyl)-1,3-benzoxathiol-1-ium-5-ol

Systemtic Name: 2-(4-methoxyphenyl)-7-(4-nitrophenyl)-1,3-benzoxathiol-1-ium-5-ol Openeye Name: 2-(4-methoxyphenyl)-7-(4-nitrophenyl)-1,3-benzoxathiol-1-ium-5-ol CAS Name: 2-(4-methoxyphenyl)-7-(4-nitrophenyl)-1,3-benzoxathiol-1-ium-5-ol IUPAC Name: 2-(4-methoxyphenyl)-7-(4-nitrophenyl)-1,3-benzoxathiol-1-ium-5-ol Traditional Name: 2-(4-methoxyphenyl)-7-(4-nitrophenyl)-1,3-benzoxathiol-1-ium-5-ol Formula: C20H14NO5S+ MolecularWeight: 380.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[O+]C3=C(S2)C=C(C=C3C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)C2=[O+]C3=C(S2)C=C(C=C3C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H13NO5S/c1-25-16-8-4-13(5-9-16)20-26-19-17(10-15(22)11-18(19)27-20)12-2-6-14(7-3-12)21(23)24/h2-11H,1H3/p+1