2-(4-ethylsulfanyl-3-nitro-phenyl)carbonylbenzoic acid

Systemtic Name: 2-(4-ethylsulfanyl-3-nitro-phenyl)carbonylbenzoic acid Openeye Name: 2-(4-ethylsulfanyl-3-nitro-benzoyl)benzoic acid CAS Name: 2-[[4-(ethylthio)-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-(4-ethylsulfanyl-3-nitrobenzoyl)benzoic acid Traditional Name: 2-[4-(ethylthio)-3-nitro-benzoyl]benzoic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5S/c1-2-23-14-8-7-10(9-13(14)17(21)22)15(18)11-5-3-4-6-12(11)16(19)20/h3-9H,2H2,1H3,(H,19,20)