sodium 2-methoxy-5-[(E)-(3-octyl-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonate

Systemtic Name: sodium 2-methoxy-5-[(E)-(3-octyl-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonate Openeye Name: sodium 2-methoxy-5-[(E)-(3-octyl-4-oxo-2-phenylimino-thiazolidin-5-ylidene)methyl]benzenesulfonate CAS Name: sodium 2-methoxy-5-[(E)-(3-octyl-4-oxo-2-phenylimino-5-thiazolidinylidene)methyl]benzenesulfonate IUPAC Name: sodium 2-methoxy-5-[(E)-(3-octyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonate Traditional Name: sodium 5-[(E)-(4-keto-3-octyl-2-phenylimino-thiazolidin-5-ylidene)methyl]-2-methoxy-besylate Formula: C25H29N2NaO5S2 MolecularWeight: 524.62793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC)S(=O)(=O)[O-])SC1=NC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCCCCCCN1C(=O)/C(=C\C2=CC(=C(C=C2)OC)S(=O)(=O)[O-])/SC1=NC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C25H30N2O5S2.Na/c1-3-4-5-6-7-11-16-27-24(28)22(33-25(27)26-20-12-9-8-10-13-20)17-19-14-15-21(32-2)23(18-19)34(29,30)31;/h8-10,12-15,17-18H,3-7,11,16H2,1-2H3,(H,29,30,31);/q;+1/p-1/b22-17+,26-25?;