3-(2-hydroxyphenyl)sulfanyl-2-nitro-benzoate

Systemtic Name: 3-(2-hydroxyphenyl)sulfanyl-2-nitro-benzoate Openeye Name: 3-(2-hydroxyphenyl)sulfanyl-2-nitro-benzoate CAS Name: 3-[(2-hydroxyphenyl)thio]-2-nitrobenzoate IUPAC Name: 3-(2-hydroxyphenyl)sulfanyl-2-nitrobenzoate Traditional Name: 3-[(2-hydroxyphenyl)thio]-2-nitro-benzoate Formula: C13H8NO5S- MolecularWeight: 290.27132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO5S/c15-9-5-1-2-6-10(9)20-11-7-3-4-8(13(16)17)12(11)14(18)19/h1-7,15H,(H,16,17)/p-1