2,6-ditert-butyl-4-(4-methylphenyl)pyrylium; naphthalene-2-sulfonate

Systemtic Name: 2,6-ditert-butyl-4-(4-methylphenyl)pyrylium; naphthalene-2-sulfonate Openeye Name: 2,6-ditert-butyl-4-(p-tolyl)pyrylium; naphthalene-2-sulfonate CAS Name: 2,6-ditert-butyl-4-(4-methylphenyl)pyrylium; 2-naphthalenesulfonate IUPAC Name: 2,6-ditert-butyl-4-(4-methylphenyl)pyrylium; naphthalene-2-sulfonate Traditional Name: 2,6-ditert-butyl-4-(p-tolyl)pyrylium; naphthalene-2-sulfonate Formula: C30H34O4S MolecularWeight: 490.65356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27O.C10H8O3S/c1-14-8-10-15(11-9-14)16-12-17(19(2,3)4)21-18(13-16)20(5,6)7;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h8-13H,1-7H3;1-7H,(H,11,12,13)/q+1;/p-1