methyl (Z)-2-isocyano-3-[tris(bromanyl)methoxysulfinyl]but-2-enoate

Systemtic Name: methyl (Z)-2-isocyano-3-[tris(bromanyl)methoxysulfinyl]but-2-enoate Openeye Name: methyl (Z)-2-isocyano-3-(tribromomethoxysulfinyl)but-2-enoate CAS Name: (Z)-2-isocyano-3-(tribromomethoxysulfinyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-2-isocyano-3-(tribromomethoxysulfinyl)but-2-enoate Traditional Name: (Z)-2-isocyano-3-(tribromomethoxysulfinyl)but-2-enoic acid methyl ester Formula: C7H6Br3NO4S MolecularWeight: 439.90384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)[N+]#[C-])S(=O)OC(Br)(Br)Br

Isomeric SMILES

C/C(=C(\C(=O)OC)/[N+]#[C-])/S(=O)OC(Br)(Br)Br

InChI

InChI=1S/C7H6Br3NO4S/c1-4(5(11-2)6(12)14-3)16(13)15-7(8,9)10/h1,3H3/b5-4-