(4-cyclohexylphenyl) 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: (4-cyclohexylphenyl) 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: (4-cyclohexylphenyl) 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid (4-cyclohexylphenyl) ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21NO4S/c22-20(14-26-19-9-5-4-8-18(19)21(23)24)25-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,14H2