[1-but-3-enoyloxy-1-(5-oxidanylidene-1,4,2-dioxazol-3-yl)pentoxy]methanethioic S-acid

Systemtic Name: [1-but-3-enoyloxy-1-(5-oxidanylidene-1,4,2-dioxazol-3-yl)pentoxy]methanethioic S-acid Openeye Name: [1-but-3-enoyloxy-1-(5-oxo-1,4,2-dioxazol-3-yl)pentoxy]methanethioic S-acid CAS Name: [1-(1-oxobut-3-enoxy)-1-(5-oxo-1,4,2-dioxazol-3-yl)pentoxy]methanethioic S-acid IUPAC Name: [1-but-3-enoyloxy-1-(5-oxo-1,4,2-dioxazol-3-yl)pentoxy]methanethioic S-acid Traditional Name: [1-but-3-enoyloxy-1-(5-keto-1,4,2-dioxazol-3-yl)pentoxy]thioformic acid Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NOC(=O)O1)(OC(=O)CC=C)OC(=O)S

Isomeric SMILES

CCCCC(C1=NOC(=O)O1)(OC(=O)CC=C)OC(=O)S

InChI

InChI=1S/C12H15NO7S/c1-3-5-7-12(19-11(16)21,18-8(14)6-4-2)9-13-20-10(15)17-9/h4H,2-3,5-7H2,1H3,(H,16,21)