sodium 7-(2,4,5-triphenylimidazol-1-yl)heptane-1-sulfonate

Systemtic Name: sodium 7-(2,4,5-triphenylimidazol-1-yl)heptane-1-sulfonate Openeye Name: sodium 7-(2,4,5-triphenylimidazol-1-yl)heptane-1-sulfonate CAS Name: sodium 7-(2,4,5-triphenyl-1-imidazolyl)-1-heptanesulfonate IUPAC Name: sodium 7-(2,4,5-triphenylimidazol-1-yl)heptane-1-sulfonate Traditional Name: sodium 7-(2,4,5-triphenylimidazol-1-yl)heptane-1-sulfonate Formula: C28H29N2NaO3S MolecularWeight: 496.59623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3S.Na/c31-34(32,33)22-14-3-1-2-13-21-30-27(24-17-9-5-10-18-24)26(23-15-7-4-8-16-23)29-28(30)25-19-11-6-12-20-25;/h4-12,15-20H,1-3,13-14,21-22H2,(H,31,32,33);/q;+1/p-1