2-phenyl-5,7-bis(2-phenylpropan-2-yl)-4,1,2-benzothiadiazin-2-ium-3-one

Systemtic Name: 2-phenyl-5,7-bis(2-phenylpropan-2-yl)-4,1,2-benzothiadiazin-2-ium-3-one Openeye Name: 5,7-bis(1-methyl-1-phenyl-ethyl)-2-phenyl-4,1,2-benzothiadiazin-2-ium-3-one CAS Name: 2-phenyl-5,7-bis(2-phenylpropan-2-yl)-4,1,2-benzothiadiazin-2-ium-3-one IUPAC Name: 2-phenyl-5,7-bis(2-phenylpropan-2-yl)-4,1,2-benzothiadiazin-2-ium-3-one Traditional Name: 5,7-dicumyl-2-phenyl-4,1,2-benzothiadiazin-2-ium-3-one Formula: C31H29N2OS+ MolecularWeight: 477.63976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC(=C3C(=C2)N=[N+](C(=O)S3)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC(=C3C(=C2)N=[N+](C(=O)S3)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5

InChI

InChI=1S/C31H29N2OS/c1-30(2,22-14-8-5-9-15-22)24-20-26(31(3,4)23-16-10-6-11-17-23)28-27(21-24)32-33(29(34)35-28)25-18-12-7-13-19-25/h5-21H,1-4H3/q+1