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

Systemtic Name: 6-oxidanyl-6-oxidanylidene-hexanoate; N-phenyl-1,3-thiazinan-3-ium-2-imine Openeye Name: 6-hydroxy-6-oxo-hexanoate; N-phenyl-1,3-thiazinan-3-ium-2-imine CAS Name: 6-hydroxy-6-oxohexanoate; N-phenyl-1,3-thiazinan-3-ium-2-imine IUPAC Name: 6-hydroxy-6-oxohexanoate; N-phenyl-1,3-thiazinan-3-ium-2-imine Traditional Name: 6-hydroxy-6-keto-hexanoate; phenyl(1,3-thiazinan-3-ium-2-ylidene)amine Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(=NC2=CC=CC=C2)SC1.C(CCC(=O)[O-])CC(=O)O

Isomeric SMILES

C1C[NH2+]C(=NC2=CC=CC=C2)SC1.C(CCC(=O)[O-])CC(=O)O

InChI

InChI=1S/C10H12N2S.C6H10O4/c1-2-5-9(6-3-1)12-10-11-7-4-8-13-10;7-5(8)3-1-2-4-6(9)10/h1-3,5-6H,4,7-8H2,(H,11,12);1-4H2,(H,7,8)(H,9,10)