[4-[(2-methylpropan-2-yl)oxy]phenyl] pyrene-1-sulfonate

Systemtic Name: [4-[(2-methylpropan-2-yl)oxy]phenyl] pyrene-1-sulfonate Openeye Name: (4-tert-butoxyphenyl) pyrene-1-sulfonate CAS Name: 1-pyrenesulfonic acid [4-[(2-methylpropan-2-yl)oxy]phenyl] ester IUPAC Name: [4-[(2-methylpropan-2-yl)oxy]phenyl] pyrene-1-sulfonate Traditional Name: pyrene-1-sulfonic acid (4-tert-butoxyphenyl) ester Formula: C26H22O4S MolecularWeight: 430.51548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)OS(=O)(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)OS(=O)(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C26H22O4S/c1-26(2,3)29-20-11-13-21(14-12-20)30-31(27,28)23-16-10-19-8-7-17-5-4-6-18-9-15-22(23)25(19)24(17)18/h4-16H,1-3H3