2-(1,3-dithian-2-yl)-5-nitro-benzoic acid

Systemtic Name: 2-(1,3-dithian-2-yl)-5-nitro-benzoic acid Openeye Name: 2-(1,3-dithian-2-yl)-5-nitro-benzoic acid CAS Name: 2-(1,3-dithian-2-yl)-5-nitrobenzoic acid IUPAC Name: 2-(1,3-dithian-2-yl)-5-nitrobenzoic acid Traditional Name: 2-(1,3-dithian-2-yl)-5-nitro-benzoic acid Formula: C11H11NO4S2 MolecularWeight: 285.33934

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CSC(SC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H11NO4S2/c13-10(14)9-6-7(12(15)16)2-3-8(9)11-17-4-1-5-18-11/h2-3,6,11H,1,4-5H2,(H,13,14)