4-[3-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzenesulfonate

Systemtic Name: 4-[3-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzenesulfonate Openeye Name: 4-[4-(4-tert-butoxyphenyl)-3-methyl-butyl]benzenesulfonate CAS Name: 4-[3-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzenesulfonate IUPAC Name: 4-[3-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzenesulfonate Traditional Name: 4-[4-(4-tert-butoxyphenyl)-3-methyl-butyl]besylate Formula: C21H27O4S- MolecularWeight: 375.50168

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)S(=O)(=O)[O-])CC2=CC=C(C=C2)OC(C)(C)C

Isomeric SMILES

CC(CCC1=CC=C(C=C1)S(=O)(=O)[O-])CC2=CC=C(C=C2)OC(C)(C)C

InChI

InChI=1S/C21H28O4S/c1-16(5-6-17-9-13-20(14-10-17)26(22,23)24)15-18-7-11-19(12-8-18)25-21(2,3)4/h7-14,16H,5-6,15H2,1-4H3,(H,22,23,24)/p-1