2-[1-(4-tert-butyl-2-propan-2-yloxy-phenyl)hexylsulfonyl]-1-oxidanidyl-3,4-dipropyl-pyridin-1-ium

Systemtic Name: 2-[1-(4-tert-butyl-2-propan-2-yloxy-phenyl)hexylsulfonyl]-1-oxidanidyl-3,4-dipropyl-pyridin-1-ium Openeye Name: 2-[1-(4-tert-butyl-2-isopropoxy-phenyl)hexylsulfonyl]-1-oxido-3,4-dipropyl-pyridin-1-ium CAS Name: 2-[1-(4-tert-butyl-2-propan-2-yloxyphenyl)hexylsulfonyl]-1-oxido-3,4-dipropylpyridin-1-ium IUPAC Name: 2-[1-(4-tert-butyl-2-propan-2-yloxyphenyl)hexylsulfonyl]-1-oxido-3,4-dipropylpyridin-1-ium Traditional Name: 2-[1-(4-tert-butyl-2-isopropoxy-phenyl)hexylsulfonyl]-1-oxido-3,4-dipropyl-pyridin-1-ium Formula: C30H47NO4S MolecularWeight: 517.76348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C=C(C=C1)C(C)(C)C)OC(C)C)S(=O)(=O)C2=[N+](C=CC(=C2CCC)CCC)[O-]

Isomeric SMILES

CCCCCC(C1=C(C=C(C=C1)C(C)(C)C)OC(C)C)S(=O)(=O)C2=[N+](C=CC(=C2CCC)CCC)[O-]

InChI

InChI=1S/C30H47NO4S/c1-9-12-13-16-28(26-18-17-24(30(6,7)8)21-27(26)35-22(4)5)36(33,34)29-25(15-11-3)23(14-10-2)19-20-31(29)32/h17-22,28H,9-16H2,1-8H3