2,6-ditert-butyl-4-(3,5-dimethylphenyl)pyrylium; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2,6-ditert-butyl-4-(3,5-dimethylphenyl)pyrylium; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2,6-ditert-butyl-4-(3,5-dimethylphenyl)pyrylium; 2,4,6-trimethylbenzenesulfonate CAS Name: 2,6-ditert-butyl-4-(3,5-dimethylphenyl)pyrylium; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2,6-ditert-butyl-4-(3,5-dimethylphenyl)pyrylium; 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,6-ditert-butyl-4-(3,5-dimethylphenyl)pyrylium; 2,4,6-trimethylbesylate Formula: C30H40O4S MolecularWeight: 496.7012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=[O+]C(=C2)C(C)(C)C)C(C)(C)C)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=[O+]C(=C2)C(C)(C)C)C(C)(C)C)C.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C

InChI

InChI=1S/C21H29O.C9H12O3S/c1-14-9-15(2)11-16(10-14)17-12-18(20(3,4)5)22-19(13-17)21(6,7)8;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h9-13H,1-8H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1