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

Systemtic Name: S-(1,3-benzothiazol-2-yl) 2-(2,4,6-trinitrophenoxy)ethanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 2-(2,4,6-trinitrophenoxy)ethanethioate CAS Name: 2-(2,4,6-trinitrophenoxy)ethanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 2-(2,4,6-trinitrophenoxy)ethanethioate Traditional Name: 2-(2,4,6-trinitrophenoxy)ethanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C15H8N4O8S2 MolecularWeight: 436.37602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=O)COC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=O)COC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H8N4O8S2/c20-13(29-15-16-9-3-1-2-4-12(9)28-15)7-27-14-10(18(23)24)5-8(17(21)22)6-11(14)19(25)26/h1-6H,7H2