2-[2-nitro-1-(4-propan-2-ylphenyl)ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-nitro-1-(4-propan-2-ylphenyl)ethyl]sulfanylethanoic acid Openeye Name: 2-[1-(4-isopropylphenyl)-2-nitro-ethyl]sulfanylacetic acid CAS Name: 2-[[2-nitro-1-(4-propan-2-ylphenyl)ethyl]thio]acetic acid IUPAC Name: 2-[2-nitro-1-(4-propan-2-ylphenyl)ethyl]sulfanylacetic acid Traditional Name: 2-[(2-nitro-1-p-cumenyl-ethyl)thio]acetic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-9(2)10-3-5-11(6-4-10)12(7-14(17)18)19-8-13(15)16/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)