4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2-thiophen-2-yl-1,3-oxazin-1-ium

Systemtic Name: 4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2-thiophen-2-yl-1,3-oxazin-1-ium Openeye Name: 4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2-(2-thienyl)-1,3-oxazin-1-ium CAS Name: 4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2-thiophen-2-yl-1,3-oxazin-1-ium IUPAC Name: 4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2-thiophen-2-yl-1,3-oxazin-1-ium Traditional Name: 4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2-(2-thienyl)-1,3-oxazin-1-ium Formula: C20H14NOS+ MolecularWeight: 326.457878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[O+]C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=CC(=[O+]C(=N2)C3=CC=CS3)C4=C(C(=C(C(=C4[2H])[2H])[2H])[2H])[2H])[2H])[2H]

InChI

InChI=1S/C20H14NOS/c1-3-8-15(9-4-1)17-14-18(16-10-5-2-6-11-16)22-20(21-17)19-12-7-13-23-19/h1-14H/q+1/i1D,2D,3D,4D,5D,6D,8D,9D,10D,11D