5-(4-methoxyphenyl)sulfanyl-2-nitro-benzoic acid

Systemtic Name: 5-(4-methoxyphenyl)sulfanyl-2-nitro-benzoic acid Openeye Name: 5-(4-methoxyphenyl)sulfanyl-2-nitro-benzoic acid CAS Name: 5-[(4-methoxyphenyl)thio]-2-nitrobenzoic acid IUPAC Name: 5-(4-methoxyphenyl)sulfanyl-2-nitrobenzoic acid Traditional Name: 5-[(4-methoxyphenyl)thio]-2-nitro-benzoic acid Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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