6,8-ditert-butyl-3,4,4-trimethyl-3-phenyl-2H-1,3-benzothiazin-3-ium

Systemtic Name: 6,8-ditert-butyl-3,4,4-trimethyl-3-phenyl-2H-1,3-benzothiazin-3-ium Openeye Name: 6,8-ditert-butyl-3,4,4-trimethyl-3-phenyl-2H-1,3-benzothiazin-3-ium CAS Name: 6,8-ditert-butyl-3,4,4-trimethyl-3-phenyl-2H-1,3-benzothiazin-3-ium IUPAC Name: 6,8-ditert-butyl-3,4,4-trimethyl-3-phenyl-2H-1,3-benzothiazin-3-ium Traditional Name: 6,8-ditert-butyl-3,4,4-trimethyl-3-phenyl-2H-1,3-benzothiazin-3-ium Formula: C25H36NS+ MolecularWeight: 382.62504

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=CC(=C2SC[N+]1(C)C3=CC=CC=C3)C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CC1(C2=CC(=CC(=C2SC[N+]1(C)C3=CC=CC=C3)C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C25H36NS/c1-23(2,3)18-15-20(24(4,5)6)22-21(16-18)25(7,8)26(9,17-27-22)19-13-11-10-12-14-19/h10-16H,17H2,1-9H3/q+1