ethyl (2E,5E)-2-bis(methoxysulfanyloxy)phosphoryl-6-bromanyl-3-(3-methylidenethiiran-2-yl)-4-sulfanylidene-hexa-2,5-dienoate

Systemtic Name: ethyl (2E,5E)-2-bis(methoxysulfanyloxy)phosphoryl-6-bromanyl-3-(3-methylidenethiiran-2-yl)-4-sulfanylidene-hexa-2,5-dienoate Openeye Name: ethyl (2E,5E)-2-bis(methoxysulfanyloxy)phosphoryl-6-bromo-3-(3-methylenethiiran-2-yl)-4-thioxo-hexa-2,5-dienoate CAS Name: (2E,5E)-2-bis[(methoxythio)oxy]phosphoryl-6-bromo-3-(3-methylene-2-thiiranyl)-4-sulfanylidenehexa-2,5-dienoic acid ethyl ester IUPAC Name: ethyl (2E,5E)-2-bis(methoxysulfanyloxy)phosphoryl-6-bromo-3-(3-methylidenethiiran-2-yl)-4-sulfanylidenehexa-2,5-dienoate Traditional Name: (2E,5E)-2-bis[(methoxythio)oxy]phosphoryl-6-bromo-3-(3-methylenethiiran-2-yl)-4-thioxo-hexa-2,5-dienoic acid ethyl ester Formula: C13H16BrO7PS4 MolecularWeight: 523.399701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1C(=C)S1)C(=S)C=CBr)P(=O)(OSOC)OSOC

Isomeric SMILES

CCOC(=O)/C(=C(/C1C(=C)S1)\C(=S)/C=C/Br)/P(=O)(OSOC)OSOC

InChI

InChI=1S/C13H16BrO7PS4/c1-5-19-13(15)11(22(16,20-25-17-3)21-26-18-4)10(9(23)6-7-14)12-8(2)24-12/h6-7,12H,2,5H2,1,3-4H3/b7-6+,11-10-