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

Systemtic Name: methyl 4-(2,6-ditert-butylthiopyrylium-4-yl)benzoate Openeye Name: methyl 4-(2,6-ditert-butylthiopyrylium-4-yl)benzoate CAS Name: 4-(2,6-ditert-butyl-4-thiopyryliumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2,6-ditert-butylthiopyrylium-4-yl)benzoate Traditional Name: 4-(2,6-ditert-butylthiopyrylium-4-yl)benzoic acid methyl ester Formula: C21H27O2S+ MolecularWeight: 343.50288

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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

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=[S+]1)C(C)(C)C)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H27O2S/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/h8-13H,1-7H3/q+1