4-[2-(4-nitrophenyl)ethyl]benzenesulfonic acid

Systemtic Name: 4-[2-(4-nitrophenyl)ethyl]benzenesulfonic acid Openeye Name: 4-[2-(4-nitrophenyl)ethyl]benzenesulfonic acid CAS Name: 4-[2-(4-nitrophenyl)ethyl]benzenesulfonic acid IUPAC Name: 4-[2-(4-nitrophenyl)ethyl]benzenesulfonic acid Traditional Name: 4-[2-(4-nitrophenyl)ethyl]besylic acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO5S/c16-15(17)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)21(18,19)20/h3-10H,1-2H2,(H,18,19,20)