methyl 4-(4-fluorophenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-(4-fluorophenyl)sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-(4-fluorophenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-fluorophenyl)thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(4-fluorophenyl)thio]-3-nitro-benzoic acid methyl ester Formula: C14H10FNO4S MolecularWeight: 307.296903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10FNO4S/c1-20-14(17)9-2-7-13(12(8-9)16(18)19)21-11-5-3-10(15)4-6-11/h2-8H,1H3