benzenesulfonate; dibutyl-[1-(3-ethoxyphenyl)-3-methyl-pentan-3-yl]-(3-ethylheptyl)azanium

Systemtic Name: benzenesulfonate; dibutyl-[1-(3-ethoxyphenyl)-3-methyl-pentan-3-yl]-(3-ethylheptyl)azanium Openeye Name: benzenesulfonate; dibutyl-[3-(3-ethoxyphenyl)-1-ethyl-1-methyl-propyl]-(3-ethylheptyl)ammonium CAS Name: benzenesulfonate; dibutyl-[1-(3-ethoxyphenyl)-3-methylpentan-3-yl]-(3-ethylheptyl)ammonium IUPAC Name: benzenesulfonate; dibutyl-[1-(3-ethoxyphenyl)-3-methylpentan-3-yl]-(3-ethylheptyl)azanium Traditional Name: dibutyl-(3-ethylheptyl)-(1-ethyl-1-methyl-3-m-phenetyl-propyl)ammonium besylate Formula: C37H63NO4S MolecularWeight: 617.96542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC[N+](CCCC)(CCCC)C(C)(CC)CCC1=CC(=CC=C1)OCC.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC[N+](CCCC)(CCCC)C(C)(CC)CCC1=CC(=CC=C1)OCC.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C31H58NO.C6H6O3S/c1-8-14-18-28(11-4)22-26-32(24-15-9-2,25-16-10-3)31(7,12-5)23-21-29-19-17-20-30(27-29)33-13-6;7-10(8,9)6-4-2-1-3-5-6/h17,19-20,27-28H,8-16,18,21-26H2,1-7H3;1-5H,(H,7,8,9)/q+1;/p-1