2-(2-hydroxyphenyl)sulfanyl-4-nitro-benzoic acid

Systemtic Name: 2-(2-hydroxyphenyl)sulfanyl-4-nitro-benzoic acid Openeye Name: 2-(2-hydroxyphenyl)sulfanyl-4-nitro-benzoic acid CAS Name: 2-[(2-hydroxyphenyl)thio]-4-nitrobenzoic acid IUPAC Name: 2-(2-hydroxyphenyl)sulfanyl-4-nitrobenzoic acid Traditional Name: 2-[(2-hydroxyphenyl)thio]-4-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=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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