4-(2,6-ditert-butylthiopyrylium-4-yl)benzamide perchlorate

Systemtic Name: 4-(2,6-ditert-butylthiopyrylium-4-yl)benzamide perchlorate Openeye Name: 4-(2,6-ditert-butylthiopyrylium-4-yl)benzamide perchlorate CAS Name: 4-(2,6-ditert-butyl-4-thiopyryliumyl)benzamide perchlorate IUPAC Name: 4-(2,6-ditert-butylthiopyrylium-4-yl)benzamide perchlorate Traditional Name: 4-(2,6-ditert-butylthiopyrylium-4-yl)benzamide perchlorate Formula: C20H26ClNO5S MolecularWeight: 427.94214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=[S+]1)C(C)(C)C)C2=CC=C(C=C2)C(=O)N.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=[S+]1)C(C)(C)C)C2=CC=C(C=C2)C(=O)N.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H25NOS.ClHO4/c1-19(2,3)16-11-15(12-17(23-16)20(4,5)6)13-7-9-14(10-8-13)18(21)22;2-1(3,4)5/h7-12H,1-6H3,(H-,21,22);(H,2,3,4,5)