2-(2,5-dimethylphenyl)sulfanyl-5-nitro-benzoic acid

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-5-nitro-benzoic acid Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-5-nitro-benzoic acid CAS Name: 2-[(2,5-dimethylphenyl)thio]-5-nitrobenzoic acid IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-5-nitrobenzoic acid Traditional Name: 2-[(2,5-dimethylphenyl)thio]-5-nitro-benzoic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H13NO4S/c1-9-3-4-10(2)14(7-9)21-13-6-5-11(16(19)20)8-12(13)15(17)18/h3-8H,1-2H3,(H,17,18)