sodium 1-(benzimidazolo[1,2-c]quinazolin-6-yl)heptadecane-1-sulfonate

Systemtic Name: sodium 1-(benzimidazolo[1,2-c]quinazolin-6-yl)heptadecane-1-sulfonate Openeye Name: sodium 1-(benzimidazolo[1,2-c]quinazolin-6-yl)heptadecane-1-sulfonate CAS Name: sodium 1-(6-benzimidazolo[1,2-c]quinazolinyl)-1-heptadecanesulfonate IUPAC Name: sodium 1-(benzimidazolo[1,2-c]quinazolin-6-yl)heptadecane-1-sulfonate Traditional Name: sodium 1-(benzimidazolo[1,2-c]quinazolin-6-yl)heptadecane-1-sulfonate Formula: C31H42N3NaO3S MolecularWeight: 559.73825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C3=NC4=CC=CC=C4N31)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C3=NC4=CC=CC=C4N31)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C31H43N3O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-29(38(35,36)37)31-32-26-21-17-16-20-25(26)30-33-27-22-18-19-23-28(27)34(30)31;/h16-23,29H,2-15,24H2,1H3,(H,35,36,37);/q;+1/p-1