3-hexadecan-2-yl-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid

Systemtic Name: 3-hexadecan-2-yl-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Openeye Name: 3-(1-methylpentadecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid CAS Name: 3-hexadecan-2-yl-2-(3-sulfobutyl)-5-benzimidazolesulfonic acid IUPAC Name: 3-hexadecan-2-yl-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Traditional Name: 3-(1-methylpentadecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Formula: C27H46N2O6S2 MolecularWeight: 558.79394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)N1C2=C(C=CC(=C2)S(=O)(=O)O)N=C1CCC(C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C)N1C2=C(C=CC(=C2)S(=O)(=O)O)N=C1CCC(C)S(=O)(=O)O

InChI

InChI=1S/C27H46N2O6S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22(2)29-26-21-24(37(33,34)35)18-19-25(26)28-27(29)20-17-23(3)36(30,31)32/h18-19,21-23H,4-17,20H2,1-3H3,(H,30,31,32)(H,33,34,35)