[(2S)-1-(4-methylphenyl)sulfinyldodecan-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [(2S)-1-(4-methylphenyl)sulfinyldodecan-2-yl] 3,5-dinitrobenzoate Openeye Name: [(1S)-1-(p-tolylsulfinylmethyl)undecyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2S)-1-(4-methylphenyl)sulfinyldodecan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)sulfinyldodecan-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1S)-1-(p-tolylsulfinylmethyl)undecyl] ester Formula: C26H34N2O7S MolecularWeight: 518.62236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CS(=O)C1=CC=C(C=C1)C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC[C@@H](CS(=O)C1=CC=C(C=C1)C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H34N2O7S/c1-3-4-5-6-7-8-9-10-11-24(19-36(34)25-14-12-20(2)13-15-25)35-26(29)21-16-22(27(30)31)18-23(17-21)28(32)33/h12-18,24H,3-11,19H2,1-2H3/t24-,36?/m0/s1