2-methyl-3-(4-nitrophenyl)sulfanyl-6-oxidanyl-5-propan-2-yl-benzoic acid

Systemtic Name: 2-methyl-3-(4-nitrophenyl)sulfanyl-6-oxidanyl-5-propan-2-yl-benzoic acid Openeye Name: 2-hydroxy-3-isopropyl-6-methyl-5-(4-nitrophenyl)sulfanyl-benzoic acid CAS Name: 2-hydroxy-6-methyl-5-[(4-nitrophenyl)thio]-3-propan-2-ylbenzoic acid IUPAC Name: 2-hydroxy-6-methyl-5-(4-nitrophenyl)sulfanyl-3-propan-2-ylbenzoic acid Traditional Name: 2-hydroxy-3-isopropyl-6-methyl-5-[(4-nitrophenyl)thio]benzoic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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