2-tert-butyl-4-(triphenylmethyl)-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium perchlorate

Systemtic Name: 2-tert-butyl-4-(triphenylmethyl)-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium perchlorate Openeye Name: 2-tert-butyl-4-trityl-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium perchlorate CAS Name: 2-tert-butyl-4-(triphenylmethyl)-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium perchlorate IUPAC Name: 2-tert-butyl-4-trityl-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium perchlorate Traditional Name: 2-tert-butyl-4-trityl-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium perchlorate Formula: C31H32ClNO4S MolecularWeight: 550.10808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[S+]C2=C(CCCC2)C(=N1)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=[S+]C2=C(CCCC2)C(=N1)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H32NS.ClHO4/c1-30(2,3)29-32-28(26-21-13-14-22-27(26)33-29)31(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25;2-1(3,4)5/h4-12,15-20H,13-14,21-22H2,1-3H3;(H,2,3,4,5)/q+1;/p-1