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

Systemtic Name: 5-tert-butyl-2-methyl-3-(4-nitrophenyl)sulfanyl-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(4-nitrophenyl)sulfanyl-benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-[(4-nitrophenyl)thio]benzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(4-nitrophenyl)sulfanylbenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-[(4-nitrophenyl)thio]benzoic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO5S/c1-10-14(25-12-7-5-11(6-8-12)19(23)24)9-13(18(2,3)4)16(20)15(10)17(21)22/h5-9,20H,1-4H3,(H,21,22)