2-trimethylsilylethyl 4-[4-(2,4-dinitrophenyl)sulfanyloxyphenoxy]butanoate

Systemtic Name: 2-trimethylsilylethyl 4-[4-(2,4-dinitrophenyl)sulfanyloxyphenoxy]butanoate Openeye Name: 2-trimethylsilylethyl 4-[4-(2,4-dinitrophenyl)sulfanyloxyphenoxy]butanoate CAS Name: 4-[4-[(2,4-dinitrophenyl)thio]oxyphenoxy]butanoic acid 2-trimethylsilylethyl ester IUPAC Name: 2-trimethylsilylethyl 4-[4-(2,4-dinitrophenyl)sulfanyloxyphenoxy]butanoate Traditional Name: 4-[4-[(2,4-dinitrophenyl)thio]oxyphenoxy]butyric acid 2-trimethylsilylethyl ester Formula: C21H26N2O8SSi MolecularWeight: 494.59024

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C)CCOC(=O)CCCOC1=CC=C(C=C1)OSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[Si](C)(C)CCOC(=O)CCCOC1=CC=C(C=C1)OSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O8SSi/c1-33(2,3)14-13-30-21(24)5-4-12-29-17-7-9-18(10-8-17)31-32-20-11-6-16(22(25)26)15-19(20)23(27)28/h6-11,15H,4-5,12-14H2,1-3H3