2-(3,4-dimethylphenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-5-nitro-benzoate Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(3,4-dimethylphenyl)thio]-5-nitrobenzoate IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(3,4-dimethylphenyl)thio]-5-nitro-benzoate Formula: C15H12NO4S- MolecularWeight: 302.32508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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