4-(3-methoxyphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: 4-(3-methoxyphenyl)sulfanyl-3-nitro-benzoate Openeye Name: 4-(3-methoxyphenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(3-methoxyphenyl)thio]-3-nitrobenzoate IUPAC Name: 4-(3-methoxyphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(3-methoxyphenyl)thio]-3-nitro-benzoate Formula: C14H10NO5S- MolecularWeight: 304.2979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC=C1)SC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11NO5S/c1-20-10-3-2-4-11(8-10)21-13-6-5-9(14(16)17)7-12(13)15(18)19/h2-8H,1H3,(H,16,17)/p-1