S-(1,3-benzothiazol-2-yl) 2-(2,4,6-trinitrophenoxy)propanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 2-(2,4,6-trinitrophenoxy)propanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 2-(2,4,6-trinitrophenoxy)propanethioate CAS Name: 2-(2,4,6-trinitrophenoxy)propanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 2-(2,4,6-trinitrophenoxy)propanethioate Traditional Name: 2-(2,4,6-trinitrophenoxy)propanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C16H10N4O8S2 MolecularWeight: 450.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SC1=NC2=CC=CC=C2S1)OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)SC1=NC2=CC=CC=C2S1)OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O8S2/c1-8(15(21)30-16-17-10-4-2-3-5-13(10)29-16)28-14-11(19(24)25)6-9(18(22)23)7-12(14)20(26)27/h2-8H,1H3