(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (4-phenylsulfanylbutylamino)azanium

Systemtic Name: (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (4-phenylsulfanylbutylamino)azanium Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; (4-phenylsulfanylbutylamino)ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; [4-(phenylthio)butylamino]ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; (4-phenylsulfanylbutylamino)azanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; [4-(phenylthio)butylamino]ammonium Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCN[NH3+].C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCCN[NH3+].C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C10H16N2S.C4H4O4/c11-12-8-4-5-9-13-10-6-2-1-3-7-10;5-3(6)1-2-4(7)8/h1-3,6-7,12H,4-5,8-9,11H2;1-2H,(H,5,6)(H,7,8)/b;2-1-