2-nitro-5-[2-(4-nitrophenyl)prop-2-enylsulfanyl]benzoic acid

Systemtic Name: 2-nitro-5-[2-(4-nitrophenyl)prop-2-enylsulfanyl]benzoic acid Openeye Name: 2-nitro-5-[2-(4-nitrophenyl)allylsulfanyl]benzoic acid CAS Name: 2-nitro-5-[2-(4-nitrophenyl)prop-2-enylthio]benzoic acid IUPAC Name: 2-nitro-5-[2-(4-nitrophenyl)prop-2-enylsulfanyl]benzoic acid Traditional Name: 2-nitro-5-[2-(4-nitrophenyl)allylthio]benzoic acid Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=C(CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O6S/c1-10(11-2-4-12(5-3-11)17(21)22)9-25-13-6-7-15(18(23)24)14(8-13)16(19)20/h2-8H,1,9H2,(H,19,20)