butane-1-sulfonate; (3-cyclohexyl-3-oxidanyl-3-phenyl-propyl)-triethyl-azanium

Systemtic Name: butane-1-sulfonate; (3-cyclohexyl-3-oxidanyl-3-phenyl-propyl)-triethyl-azanium Openeye Name: butane-1-sulfonate; (3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-triethyl-ammonium CAS Name: 1-butanesulfonate; (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylammonium IUPAC Name: butane-1-sulfonate; (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium Traditional Name: butane-1-sulfonate; (3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-triethyl-ammonium Formula: C25H45NO4S MolecularWeight: 455.6941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)[O-].CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O

Isomeric SMILES

CCCCS(=O)(=O)[O-].CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C21H36NO.C4H10O3S/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;1-2-3-4-8(5,6)7/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;2-4H2,1H3,(H,5,6,7)/q+1;/p-1