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

Systemtic Name: 2,6-ditert-butyl-4-(3,5-dimethylphenyl)pyrylium; naphthalene-2-sulfonate Openeye Name: 2,6-ditert-butyl-4-(3,5-dimethylphenyl)pyrylium; naphthalene-2-sulfonate CAS Name: 2,6-ditert-butyl-4-(3,5-dimethylphenyl)pyrylium; 2-naphthalenesulfonate IUPAC Name: 2,6-ditert-butyl-4-(3,5-dimethylphenyl)pyrylium; naphthalene-2-sulfonate Traditional Name: 2,6-ditert-butyl-4-(3,5-dimethylphenyl)pyrylium; naphthalene-2-sulfonate Formula: C31H36O4S MolecularWeight: 504.68014

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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.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=[O+]C(=C2)C(C)(C)C)C(C)(C)C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H29O.C10H8O3S/c1-14-9-15(2)11-16(10-14)17-12-18(20(3,4)5)22-19(13-17)21(6,7)8;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h9-13H,1-8H3;1-7H,(H,11,12,13)/q+1;/p-1