azanium 3,4-dimethyl-2-(phenylmethyl)-5-(3,5,5-trimethylhexyl)benzenesulfonate

Systemtic Name: azanium 3,4-dimethyl-2-(phenylmethyl)-5-(3,5,5-trimethylhexyl)benzenesulfonate Openeye Name: ammonium 2-benzyl-3,4-dimethyl-5-(3,5,5-trimethylhexyl)benzenesulfonate CAS Name: ammonium 3,4-dimethyl-2-(phenylmethyl)-5-(3,5,5-trimethylhexyl)benzenesulfonate IUPAC Name: azanium 2-benzyl-3,4-dimethyl-5-(3,5,5-trimethylhexyl)benzenesulfonate Traditional Name: ammonium 2-benzyl-3,4-dimethyl-5-(3,5,5-trimethylhexyl)besylate Formula: C24H37NO3S MolecularWeight: 419.62048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1CCC(C)CC(C)(C)C)S(=O)(=O)[O-])CC2=CC=CC=C2)C.[NH4+]

Isomeric SMILES

CC1=C(C(=C(C=C1CCC(C)CC(C)(C)C)S(=O)(=O)[O-])CC2=CC=CC=C2)C.[NH4+]

InChI

InChI=1S/C24H34O3S.H3N/c1-17(16-24(4,5)6)12-13-21-15-23(28(25,26)27)22(19(3)18(21)2)14-20-10-8-7-9-11-20;/h7-11,15,17H,12-14,16H2,1-6H3,(H,25,26,27);1H3