sodium (Z)-[1-(2-chloranyl-5-hexadecylsulfonyl-phenyl)-2-oxidanylidene-5-sulfanylidene-imidazolidin-4-ylidene]methanolate

Systemtic Name: sodium (Z)-[1-(2-chloranyl-5-hexadecylsulfonyl-phenyl)-2-oxidanylidene-5-sulfanylidene-imidazolidin-4-ylidene]methanolate Openeye Name: sodium (Z)-[1-(2-chloro-5-hexadecylsulfonyl-phenyl)-2-oxo-5-thioxo-imidazolidin-4-ylidene]methanolate CAS Name: sodium (Z)-[1-(2-chloro-5-hexadecylsulfonylphenyl)-2-oxo-5-sulfanylidene-4-imidazolidinylidene]methanolate IUPAC Name: sodium (Z)-[1-(2-chloro-5-hexadecylsulfonylphenyl)-2-oxo-5-sulfanylideneimidazolidin-4-ylidene]methanolate Traditional Name: sodium (Z)-[1-(5-cetylsulfonyl-2-chloro-phenyl)-2-keto-5-thioxo-imidazolidin-4-ylidene]methanolate Formula: C26H38ClN2NaO4S2 MolecularWeight: 565.16369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)Cl)N2C(=S)C(=C[O-])NC2=O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)Cl)N2C(=S)/C(=C/[O-])/NC2=O.[Na+]

InChI

InChI=1S/C26H39ClN2O4S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-35(32,33)21-16-17-22(27)24(19-21)29-25(34)23(20-30)28-26(29)31;/h16-17,19-20,30H,2-15,18H2,1H3,(H,28,31);/q;+1/p-1/b23-20-;