methyl 4-(2,6-ditert-butylthiopyrylium-4-yl)benzoate perchlorate

Systemtic Name: methyl 4-(2,6-ditert-butylthiopyrylium-4-yl)benzoate perchlorate Openeye Name: methyl 4-(2,6-ditert-butylthiopyrylium-4-yl)benzoate perchlorate CAS Name: 4-(2,6-ditert-butyl-4-thiopyryliumyl)benzoic acid methyl ester perchlorate IUPAC Name: methyl 4-(2,6-ditert-butylthiopyrylium-4-yl)benzoate perchlorate Traditional Name: 4-(2,6-ditert-butylthiopyrylium-4-yl)benzoic acid methyl ester perchlorate Formula: C21H27ClO6S MolecularWeight: 442.95348

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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)OC.[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)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H27O2S.ClHO4/c1-20(2,3)17-12-16(13-18(24-17)21(4,5)6)14-8-10-15(11-9-14)19(22)23-7;2-1(3,4)5/h8-13H,1-7H3;(H,2,3,4,5)/q+1;/p-1