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

Systemtic Name: 2-methoxy-5-[(E)-(3-octyl-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid Openeye Name: 2-methoxy-5-[(E)-(3-octyl-4-oxo-2-phenylimino-thiazolidin-5-ylidene)methyl]benzenesulfonic acid CAS Name: 2-methoxy-5-[(E)-(3-octyl-4-oxo-2-phenylimino-5-thiazolidinylidene)methyl]benzenesulfonic acid IUPAC Name: 2-methoxy-5-[(E)-(3-octyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid Traditional Name: 5-[(E)-(4-keto-3-octyl-2-phenylimino-thiazolidin-5-ylidene)methyl]-2-methoxy-besylic acid Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC)S(=O)(=O)O)SC1=NC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCN1C(=O)/C(=C\C2=CC(=C(C=C2)OC)S(=O)(=O)O)/SC1=NC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5S2/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)/b22-17+,26-25?