pentyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate

Systemtic Name: pentyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Openeye Name: pentyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate CAS Name: 4-[[(4-nitrophenyl)thio]-oxomethyl]benzoic acid pentyl ester IUPAC Name: pentyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Traditional Name: 4-[(4-nitrophenyl)thio]carbonylbenzoic acid amyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO5S/c1-2-3-4-13-25-18(21)14-5-7-15(8-6-14)19(22)26-17-11-9-16(10-12-17)20(23)24/h5-12H,2-4,13H2,1H3