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

Systemtic Name: 5-tert-butyl-2-methyl-3-(4-nitrophenyl)sulfinyl-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(4-nitrophenyl)sulfinyl-benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(4-nitrophenyl)sulfinylbenzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(4-nitrophenyl)sulfinylbenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(4-nitrophenyl)sulfinyl-benzoic acid Formula: C18H19NO6S MolecularWeight: 377.41156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6S/c1-10-14(26(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)