phenyl 2-[3-(4-nitrophenyl)sulfanylpropanoyloxy]benzoate

Systemtic Name: phenyl 2-[3-(4-nitrophenyl)sulfanylpropanoyloxy]benzoate Openeye Name: phenyl 2-[3-(4-nitrophenyl)sulfanylpropanoyloxy]benzoate CAS Name: 2-[3-[(4-nitrophenyl)thio]-1-oxopropoxy]benzoic acid phenyl ester IUPAC Name: phenyl 2-[3-(4-nitrophenyl)sulfanylpropanoyloxy]benzoate Traditional Name: 2-[3-[(4-nitrophenyl)thio]propanoyloxy]benzoic acid phenyl ester Formula: C22H17NO6S MolecularWeight: 423.43848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)CCSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)CCSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO6S/c24-21(14-15-30-18-12-10-16(11-13-18)23(26)27)29-20-9-5-4-8-19(20)22(25)28-17-6-2-1-3-7-17/h1-13H,14-15H2