[2-[[dimethyl(4-sulfobutyl)azaniumyl]methyl]-9-phenyl-nonyl]-dimethyl-(4-sulfobutyl)azanium

Systemtic Name: [2-[[dimethyl(4-sulfobutyl)azaniumyl]methyl]-9-phenyl-nonyl]-dimethyl-(4-sulfobutyl)azanium Openeye Name: [2-[[dimethyl(4-sulfobutyl)ammonio]methyl]-9-phenyl-nonyl]-dimethyl-(4-sulfobutyl)ammonium CAS Name: [2-[[dimethyl(4-sulfobutyl)ammonio]methyl]-9-phenylnonyl]-dimethyl-(4-sulfobutyl)ammonium IUPAC Name: [2-[[dimethyl(4-sulfobutyl)azaniumyl]methyl]-9-phenylnonyl]-dimethyl-(4-sulfobutyl)azanium Traditional Name: [2-[[dimethyl(4-sulfobutyl)ammonio]methyl]-9-phenyl-nonyl]-dimethyl-(4-sulfobutyl)ammonium Formula: C28H54N2O6S2+2 MolecularWeight: 578.86816

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCS(=O)(=O)O)CC(CCCCCCCC1=CC=CC=C1)C[N+](C)(C)CCCCS(=O)(=O)O

Isomeric SMILES

C[N+](C)(CCCCS(=O)(=O)O)CC(CCCCCCCC1=CC=CC=C1)C[N+](C)(C)CCCCS(=O)(=O)O

InChI

InChI=1S/C28H52N2O6S2/c1-29(2,21-13-15-23-37(31,32)33)25-28(26-30(3,4)22-14-16-24-38(34,35)36)20-10-7-5-6-9-17-27-18-11-8-12-19-27/h8,11-12,18-19,28H,5-7,9-10,13-17,20-26H2,1-4H3/p+2