2-[diethyl-[(2-tetradecylphenyl)methyl]azaniumyl]ethanesulfonate

Systemtic Name: 2-[diethyl-[(2-tetradecylphenyl)methyl]azaniumyl]ethanesulfonate Openeye Name: 2-[diethyl-[(2-tetradecylphenyl)methyl]ammonio]ethanesulfonate CAS Name: 2-[diethyl-[(2-tetradecylphenyl)methyl]ammonio]ethanesulfonate IUPAC Name: 2-[diethyl-[(2-tetradecylphenyl)methyl]azaniumyl]ethanesulfonate Traditional Name: 2-[diethyl-(2-myristylbenzyl)ammonio]ethanesulfonate Formula: C27H49NO3S MolecularWeight: 467.74786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC=CC=C1C[N+](CC)(CC)CCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC=CC=C1C[N+](CC)(CC)CCS(=O)(=O)[O-]

InChI

InChI=1S/C27H49NO3S/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-26-21-18-19-22-27(26)25-28(5-2,6-3)23-24-32(29,30)31/h18-19,21-22H,4-17,20,23-25H2,1-3H3