(4-butylphenyl) 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: (4-butylphenyl) 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: (4-butylphenyl) 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid (4-butylphenyl) ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H19NO4S/c1-2-3-6-14-9-11-15(12-10-14)23-18(20)13-24-17-8-5-4-7-16(17)19(21)22/h4-5,7-12H,2-3,6,13H2,1H3