6-oxidanyl-6-oxidanylidene-hexanoate; N-phenyl-1,3-thiazolidin-3-ium-2-imine

Systemtic Name: 6-oxidanyl-6-oxidanylidene-hexanoate; N-phenyl-1,3-thiazolidin-3-ium-2-imine Openeye Name: 6-hydroxy-6-oxo-hexanoate; N-phenylthiazolidin-3-ium-2-imine CAS Name: 6-hydroxy-6-oxohexanoate; N-phenyl-2-thiazolidin-3-iumimine IUPAC Name: 6-hydroxy-6-oxohexanoate; N-phenyl-1,3-thiazolidin-3-ium-2-imine Traditional Name: 6-hydroxy-6-keto-hexanoate; phenyl(thiazolidin-3-ium-2-ylidene)amine Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=NC2=CC=CC=C2)[NH2+]1.C(CCC(=O)[O-])CC(=O)O

Isomeric SMILES

C1CSC(=NC2=CC=CC=C2)[NH2+]1.C(CCC(=O)[O-])CC(=O)O

InChI

InChI=1S/C9H10N2S.C6H10O4/c1-2-4-8(5-3-1)11-9-10-6-7-12-9;7-5(8)3-1-2-4-6(9)10/h1-5H,6-7H2,(H,10,11);1-4H2,(H,7,8)(H,9,10)