6-[5-butyl-4-oxidanylidene-3-(3-phenoxyphenyl)-1,3-thiazolidin-3-ium-3-yl]hexanoic acid

Systemtic Name: 6-[5-butyl-4-oxidanylidene-3-(3-phenoxyphenyl)-1,3-thiazolidin-3-ium-3-yl]hexanoic acid Openeye Name: 6-[5-butyl-4-oxo-3-(3-phenoxyphenyl)thiazolidin-3-ium-3-yl]hexanoic acid CAS Name: 6-[5-butyl-4-oxo-3-(3-phenoxyphenyl)-3-thiazolidin-3-iumyl]hexanoic acid IUPAC Name: 6-[5-butyl-4-oxo-3-(3-phenoxyphenyl)-1,3-thiazolidin-3-ium-3-yl]hexanoic acid Traditional Name: 6-[5-butyl-4-keto-3-(3-phenoxyphenyl)thiazolidin-3-ium-3-yl]hexanoic acid Formula: C25H32NO4S+ MolecularWeight: 442.59088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)[N+](CS1)(CCCCCC(=O)O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCC1C(=O)[N+](CS1)(CCCCCC(=O)O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H31NO4S/c1-2-3-15-23-25(29)26(19-31-23,17-9-5-8-16-24(27)28)20-11-10-14-22(18-20)30-21-12-6-4-7-13-21/h4,6-7,10-14,18,23H,2-3,5,8-9,15-17,19H2,1H3/p+1