3-(2-hydroxyphenyl)sulfanyl-2-nitro-benzoic acid

Systemtic Name: 3-(2-hydroxyphenyl)sulfanyl-2-nitro-benzoic acid Openeye Name: 3-(2-hydroxyphenyl)sulfanyl-2-nitro-benzoic acid CAS Name: 3-[(2-hydroxyphenyl)thio]-2-nitrobenzoic acid IUPAC Name: 3-(2-hydroxyphenyl)sulfanyl-2-nitrobenzoic acid Traditional Name: 3-[(2-hydroxyphenyl)thio]-2-nitro-benzoic acid Formula: C13H9NO5S MolecularWeight: 291.27926

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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)