2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-benzoic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-benzoic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-benzoic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-5-nitrobenzoic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-5-nitrobenzoic acid Traditional Name: 5-nitro-2-(p-anisylthio)benzoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H13NO5S/c1-21-12-5-2-10(3-6-12)9-22-14-7-4-11(16(19)20)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)