[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-diphenyl-sulfanium; pyrene-1-sulfonate

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-diphenyl-sulfanium; pyrene-1-sulfonate Openeye Name: [4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-diphenyl-sulfonium; pyrene-1-sulfonate CAS Name: [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfonium; 1-pyrenesulfonate IUPAC Name: [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium; pyrene-1-sulfonate Traditional Name: [4-(2-tert-butoxy-2-keto-ethoxy)phenyl]-diphenyl-sulfonium; pyrene-1-sulfonate Formula: C40H34O6S2 MolecularWeight: 674.82436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C24H25O3S.C16H10O3S/c1-24(2,3)27-23(25)18-26-19-14-16-22(17-15-19)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21;17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h4-17H,18H2,1-3H3;1-9H,(H,17,18,19)/q+1;/p-1