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

Systemtic Name: [4-[(2-methylpropan-2-yl)oxy]phenyl] octane-1-sulfonate Openeye Name: (4-tert-butoxyphenyl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [4-[(2-methylpropan-2-yl)oxy]phenyl] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid (4-tert-butoxyphenyl) ester Formula: C18H30O4S MolecularWeight: 342.4934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)OC(C)(C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)OC(C)(C)C

InChI

InChI=1S/C18H30O4S/c1-5-6-7-8-9-10-15-23(19,20)22-17-13-11-16(12-14-17)21-18(2,3)4/h11-14H,5-10,15H2,1-4H3