4-(4-chloranyl-2,5-dimethyl-phenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: 4-(4-chloranyl-2,5-dimethyl-phenyl)sulfanyl-3-nitro-benzoate Openeye Name: 4-(4-chloro-2,5-dimethyl-phenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-chloro-2,5-dimethylphenyl)thio]-3-nitrobenzoate IUPAC Name: 4-(4-chloro-2,5-dimethylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(4-chloro-2,5-dimethyl-phenyl)thio]-3-nitro-benzoate Formula: C15H11ClNO4S- MolecularWeight: 336.77014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)SC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)SC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12ClNO4S/c1-8-6-14(9(2)5-11(8)16)22-13-4-3-10(15(18)19)7-12(13)17(20)21/h3-7H,1-2H3,(H,18,19)/p-1