2-(2-carboxylatophenyl)sulfanyl-3,5-dinitro-benzoate

Systemtic Name: 2-(2-carboxylatophenyl)sulfanyl-3,5-dinitro-benzoate Openeye Name: 2-(2-carboxylatophenyl)sulfanyl-3,5-dinitro-benzoate CAS Name: 2-[(2-carboxylatophenyl)thio]-3,5-dinitrobenzoate IUPAC Name: 2-(2-carboxylatophenyl)sulfanyl-3,5-dinitrobenzoate Traditional Name: 2-[(2-carboxylatophenyl)thio]-3,5-dinitro-benzoate Formula: C14H6N2O8S-2 MolecularWeight: 362.27104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H8N2O8S/c17-13(18)8-3-1-2-4-11(8)25-12-9(14(19)20)5-7(15(21)22)6-10(12)16(23)24/h1-6H,(H,17,18)(H,19,20)/p-2