4-heptadecyl-1-[(3-sulfophenyl)methyl]benzimidazole-2-sulfonic acid

Systemtic Name: 4-heptadecyl-1-[(3-sulfophenyl)methyl]benzimidazole-2-sulfonic acid Openeye Name: 4-heptadecyl-1-[(3-sulfophenyl)methyl]benzimidazole-2-sulfonic acid CAS Name: 4-heptadecyl-1-[(3-sulfophenyl)methyl]-2-benzimidazolesulfonic acid IUPAC Name: 4-heptadecyl-1-[(3-sulfophenyl)methyl]benzimidazole-2-sulfonic acid Traditional Name: 4-heptadecyl-1-(3-sulfobenzyl)benzimidazole-2-sulfonic acid Formula: C31H46N2O6S2 MolecularWeight: 606.83674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C2C(=CC=C1)N(C(=N2)S(=O)(=O)O)CC3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C2C(=CC=C1)N(C(=N2)S(=O)(=O)O)CC3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C31H46N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-21-18-23-29-30(27)32-31(41(37,38)39)33(29)25-26-19-17-22-28(24-26)40(34,35)36/h17-19,21-24H,2-16,20,25H2,1H3,(H,34,35,36)(H,37,38,39)