sodium (E)-[2-(2-chloranyl-5-hexadecoxy-phenyl)-5-sulfanylidene-1,3-thiazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[2-(2-chloranyl-5-hexadecoxy-phenyl)-5-sulfanylidene-1,3-thiazol-4-ylidene]methanolate Openeye Name: sodium (E)-[2-(2-chloro-5-hexadecoxy-phenyl)-5-thioxo-thiazol-4-ylidene]methanolate CAS Name: sodium (E)-[2-(2-chloro-5-hexadecoxyphenyl)-5-sulfanylidene-4-thiazolylidene]methanolate IUPAC Name: sodium (E)-[2-(2-chloro-5-hexadecoxyphenyl)-5-sulfanylidene-1,3-thiazol-4-ylidene]methanolate Traditional Name: sodium (E)-[2-(5-cetyloxy-2-chloro-phenyl)-5-thioxo-2-thiazolin-4-ylidene]methanolate Formula: C26H37ClNNaO2S2 MolecularWeight: 518.15025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)Cl)C2=NC(=C[O-])C(=S)S2.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)Cl)C2=N/C(=C/[O-])/C(=S)S2.[Na+]

InChI

InChI=1S/C26H38ClNO2S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-21-16-17-23(27)22(19-21)25-28-24(20-29)26(31)32-25;/h16-17,19-20,29H,2-15,18H2,1H3;/q;+1/p-1/b24-20+;