2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-3-nitro-benzenesulfonic acid

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-3-nitro-benzenesulfonic acid Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-3-nitro-benzenesulfonic acid CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)ethyl]-3-nitrobenzenesulfonic acid IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-nitrobenzenesulfonic acid Traditional Name: 3-nitro-2-(2-phthalimidoethyl)besylic acid Formula: C16H12N2O7S MolecularWeight: 376.34068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=C(C=CC=C3S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=C(C=CC=C3S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O7S/c19-15-10-4-1-2-5-11(10)16(20)17(15)9-8-12-13(18(21)22)6-3-7-14(12)26(23,24)25/h1-7H,8-9H2,(H,23,24,25)