2-[(E)-2-phenylethenyl]-1,3-benzoxazin-3-ium-4-one perchlorate

Systemtic Name: 2-[(E)-2-phenylethenyl]-1,3-benzoxazin-3-ium-4-one perchlorate Openeye Name: 2-[(E)-styryl]-1,3-benzoxazin-3-ium-4-one perchlorate CAS Name: 2-[(E)-2-phenylethenyl]-1,3-benzoxazin-3-ium-4-one perchlorate IUPAC Name: 2-[(E)-2-phenylethenyl]-1,3-benzoxazin-3-ium-4-one perchlorate Traditional Name: 2-[(E)-styryl]-1,3-benzoxazin-3-ium-4-one perchlorate Formula: C16H12ClNO6 MolecularWeight: 349.72258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=[NH+]C(=O)C3=CC=CC=C3O2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=[NH+]C(=O)C3=CC=CC=C3O2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H11NO2.ClHO4/c18-16-13-8-4-5-9-14(13)19-15(17-16)11-10-12-6-2-1-3-7-12;2-1(3,4)5/h1-11H;(H,2,3,4,5)/b11-10+;