2,6-ditert-butyl-4-[4-(trifluoromethyl)phenyl]pyrylium; naphthalene-2-sulfonate

Systemtic Name: 2,6-ditert-butyl-4-[4-(trifluoromethyl)phenyl]pyrylium; naphthalene-2-sulfonate Openeye Name: 2,6-ditert-butyl-4-[4-(trifluoromethyl)phenyl]pyrylium; naphthalene-2-sulfonate CAS Name: 2,6-ditert-butyl-4-[4-(trifluoromethyl)phenyl]pyrylium; 2-naphthalenesulfonate IUPAC Name: 2,6-ditert-butyl-4-[4-(trifluoromethyl)phenyl]pyrylium; naphthalene-2-sulfonate Traditional Name: 2,6-ditert-butyl-4-[4-(trifluoromethyl)phenyl]pyrylium; naphthalene-2-sulfonate Formula: C30H31F3O4S MolecularWeight: 544.62495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=[O+]1)C(C)(C)C)C2=CC=C(C=C2)C(F)(F)F.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=[O+]1)C(C)(C)C)C2=CC=C(C=C2)C(F)(F)F.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H24F3O.C10H8O3S/c1-18(2,3)16-11-14(12-17(24-16)19(4,5)6)13-7-9-15(10-8-13)20(21,22)23;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h7-12H,1-6H3;1-7H,(H,11,12,13)/q+1;/p-1