3-tert-butyl-6-methyl-4-(3-nitrophenyl)sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 3-tert-butyl-6-methyl-4-(3-nitrophenyl)sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-4-(3-nitrophenyl)sulfonyl-benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-4-(3-nitrophenyl)sulfonylbenzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-4-(3-nitrophenyl)sulfonylbenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-4-(3-nitrophenyl)sulfonyl-benzoic acid Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)O)O)C(C)(C)C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)O)O)C(C)(C)C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO7S/c1-10-8-13(15(18(2,3)4)16(20)14(10)17(21)22)27(25,26)12-7-5-6-11(9-12)19(23)24/h5-9,20H,1-4H3,(H,21,22)