3-tert-butyl-5-(4-nitrophenyl)sulfanyl-2-oxidanyl-benzoic acid

Systemtic Name: 3-tert-butyl-5-(4-nitrophenyl)sulfanyl-2-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-5-(4-nitrophenyl)sulfanyl-benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-5-[(4-nitrophenyl)thio]benzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-5-(4-nitrophenyl)sulfanylbenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-5-[(4-nitrophenyl)thio]benzoic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5S/c1-17(2,3)14-9-12(8-13(15(14)19)16(20)21)24-11-6-4-10(5-7-11)18(22)23/h4-9,19H,1-3H3,(H,20,21)