benzenesulfonate; (4-dimethylaminophenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]sulfanium

Systemtic Name: benzenesulfonate; (4-dimethylaminophenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]sulfanium Openeye Name: benzenesulfonate; bis[4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-(4-dimethylaminophenyl)sulfonium CAS Name: benzenesulfonate; (4-dimethylaminophenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfonium IUPAC Name: benzenesulfonate; (4-dimethylaminophenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium Traditional Name: bis[4-(2-tert-butoxy-2-keto-ethoxy)phenyl]-(4-dimethylaminophenyl)sulfonium besylate Formula: C38H45NO9S2 MolecularWeight: 723.8952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)OCC(=O)OC(C)(C)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)OCC(=O)OC(C)(C)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C32H40NO6S.C6H6O3S/c1-31(2,3)38-29(34)21-36-24-11-17-27(18-12-24)40(26-15-9-23(10-16-26)33(7)8)28-19-13-25(14-20-28)37-22-30(35)39-32(4,5)6;7-10(8,9)6-4-2-1-3-5-6/h9-20H,21-22H2,1-8H3;1-5H,(H,7,8,9)/q+1;/p-1