3-[(2-methoxyphenyl)methylsulfanyl]-5-nitro-benzoic acid

Systemtic Name: 3-[(2-methoxyphenyl)methylsulfanyl]-5-nitro-benzoic acid Openeye Name: 3-[(2-methoxyphenyl)methylsulfanyl]-5-nitro-benzoic acid CAS Name: 3-[(2-methoxyphenyl)methylthio]-5-nitrobenzoic acid IUPAC Name: 3-[(2-methoxyphenyl)methylsulfanyl]-5-nitrobenzoic acid Traditional Name: 3-nitro-5-(o-anisylthio)benzoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=CC=C1CSC2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

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