O-ethyl [2-nitro-1-(3,4,5-trimethoxyphenyl)propyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [2-nitro-1-(3,4,5-trimethoxyphenyl)propyl]sulfanylmethanethioate Openeye Name: O-ethyl [2-nitro-1-(3,4,5-trimethoxyphenyl)propyl]sulfanylmethanethioate CAS Name: [[2-nitro-1-(3,4,5-trimethoxyphenyl)propyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [2-nitro-1-(3,4,5-trimethoxyphenyl)propyl]sulfanylmethanethioate Traditional Name: [[2-nitro-1-(3,4,5-trimethoxyphenyl)propyl]thio]methanethioic acid O-ethyl ester Formula: C15H21NO6S2 MolecularWeight: 375.46034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(C1=CC(=C(C(=C1)OC)OC)OC)C(C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=S)SC(C1=CC(=C(C(=C1)OC)OC)OC)C(C)[N+](=O)[O-]

InChI

InChI=1S/C15H21NO6S2/c1-6-22-15(23)24-14(9(2)16(17)18)10-7-11(19-3)13(21-5)12(8-10)20-4/h7-9,14H,6H2,1-5H3