sodium 6-(1,4,5-triphenylimidazol-2-yl)oxyhexane-1-sulfonate

Systemtic Name: sodium 6-(1,4,5-triphenylimidazol-2-yl)oxyhexane-1-sulfonate Openeye Name: sodium 6-(1,4,5-triphenylimidazol-2-yl)oxyhexane-1-sulfonate CAS Name: sodium 6-[(1,4,5-triphenyl-2-imidazolyl)oxy]-1-hexanesulfonate IUPAC Name: sodium 6-(1,4,5-triphenylimidazol-2-yl)oxyhexane-1-sulfonate Traditional Name: sodium 6-(1,4,5-triphenylimidazol-2-yl)oxyhexane-1-sulfonate Formula: C27H27N2NaO4S MolecularWeight: 498.56905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=N2)OCCCCCCS(=O)(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)OCCCCCCS(=O)(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C27H28N2O4S.Na/c30-34(31,32)21-13-2-1-12-20-33-27-28-25(22-14-6-3-7-15-22)26(23-16-8-4-9-17-23)29(27)24-18-10-5-11-19-24;/h3-11,14-19H,1-2,12-13,20-21H2,(H,30,31,32);/q;+1/p-1