sodium (Z)-[3-(2-chloranyl-5-hexadecylsulfonyl-phenyl)-2-oxidanylidene-4-sulfanylidene-1,3-thiazolidin-5-ylidene]methanolate

Systemtic Name: sodium (Z)-[3-(2-chloranyl-5-hexadecylsulfonyl-phenyl)-2-oxidanylidene-4-sulfanylidene-1,3-thiazolidin-5-ylidene]methanolate Openeye Name: sodium (Z)-[3-(2-chloro-5-hexadecylsulfonyl-phenyl)-2-oxo-4-thioxo-thiazolidin-5-ylidene]methanolate CAS Name: sodium (Z)-[3-(2-chloro-5-hexadecylsulfonylphenyl)-2-oxo-4-sulfanylidene-5-thiazolidinylidene]methanolate IUPAC Name: sodium (Z)-[3-(2-chloro-5-hexadecylsulfonylphenyl)-2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene]methanolate Traditional Name: sodium (Z)-[3-(5-cetylsulfonyl-2-chloro-phenyl)-2-keto-4-thioxo-thiazolidin-5-ylidene]methanolate Formula: C26H37ClNNaO4S3 MolecularWeight: 582.21405

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)Cl)N2C(=S)C(=C[O-])SC2=O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)Cl)N2C(=S)/C(=C/[O-])/SC2=O.[Na+]

InChI

InChI=1S/C26H38ClNO4S3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-35(31,32)21-16-17-22(27)23(19-21)28-25(33)24(20-29)34-26(28)30;/h16-17,19-20,29H,2-15,18H2,1H3;/q;+1/p-1/b24-20-;