[(E)-3-(2,4-dinitrophenyl)sulfanyl-2-methyl-prop-2-enyl] ethanoate

Systemtic Name: [(E)-3-(2,4-dinitrophenyl)sulfanyl-2-methyl-prop-2-enyl] ethanoate Openeye Name: [(E)-3-(2,4-dinitrophenyl)sulfanyl-2-methyl-allyl] acetate CAS Name: acetic acid [(E)-3-[(2,4-dinitrophenyl)thio]-2-methylprop-2-enyl] ester IUPAC Name: [(E)-3-(2,4-dinitrophenyl)sulfanyl-2-methylprop-2-enyl] acetate Traditional Name: acetic acid [(E)-3-[(2,4-dinitrophenyl)thio]-2-methyl-allyl] ester Formula: C12H12N2O6S MolecularWeight: 312.29848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])COC(=O)C

Isomeric SMILES

C/C(=C\SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/COC(=O)C

InChI

InChI=1S/C12H12N2O6S/c1-8(6-20-9(2)15)7-21-12-4-3-10(13(16)17)5-11(12)14(18)19/h3-5,7H,6H2,1-2H3/b8-7+