sodium (E)-[2-(4-dodecylsulfonylphenyl)-1-methyl-5-oxidanylidene-imidazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[2-(4-dodecylsulfonylphenyl)-1-methyl-5-oxidanylidene-imidazol-4-ylidene]methanolate Openeye Name: sodium (E)-[2-(4-dodecylsulfonylphenyl)-1-methyl-5-oxo-imidazol-4-ylidene]methanolate CAS Name: sodium (E)-[2-(4-dodecylsulfonylphenyl)-1-methyl-5-oxo-4-imidazolylidene]methanolate IUPAC Name: sodium (E)-[2-(4-dodecylsulfonylphenyl)-1-methyl-5-oxoimidazol-4-ylidene]methanolate Traditional Name: sodium (E)-[5-keto-2-(4-laurylsulfonylphenyl)-1-methyl-2-imidazolin-4-ylidene]methanolate Formula: C23H33N2NaO4S MolecularWeight: 456.57389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=NC(=C[O-])C(=O)N2C.[Na+]

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=N/C(=C/[O-])/C(=O)N2C.[Na+]

InChI

InChI=1S/C23H34N2O4S.Na/c1-3-4-5-6-7-8-9-10-11-12-17-30(28,29)20-15-13-19(14-16-20)22-24-21(18-26)23(27)25(22)2;/h13-16,18,26H,3-12,17H2,1-2H3;/q;+1/p-1/b21-18+;