sodium 7-(2-oxidanylidene-3,4,5-triphenyl-imidazol-1-yl)heptane-1-sulfonate

Systemtic Name: sodium 7-(2-oxidanylidene-3,4,5-triphenyl-imidazol-1-yl)heptane-1-sulfonate Openeye Name: sodium 7-(2-oxo-3,4,5-triphenyl-imidazol-1-yl)heptane-1-sulfonate CAS Name: sodium 7-(2-oxo-3,4,5-triphenyl-1-imidazolyl)-1-heptanesulfonate IUPAC Name: sodium 7-(2-oxo-3,4,5-triphenylimidazol-1-yl)heptane-1-sulfonate Traditional Name: sodium 7-(2-keto-3,4,5-triphenyl-4-imidazolin-1-yl)heptane-1-sulfonate Formula: C28H29N2NaO4S MolecularWeight: 512.59563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)N2CCCCCCCS(=O)(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)N2CCCCCCCS(=O)(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C28H30N2O4S.Na/c31-28-29(21-13-2-1-3-14-22-35(32,33)34)26(23-15-7-4-8-16-23)27(24-17-9-5-10-18-24)30(28)25-19-11-6-12-20-25;/h4-12,15-20H,1-3,13-14,21-22H2,(H,32,33,34);/q;+1/p-1