3-nitro-5-[(6-oxidanylidene-6-phenylmethoxy-hexyl)carbamoyl]benzenesulfonic acid

Systemtic Name: 3-nitro-5-[(6-oxidanylidene-6-phenylmethoxy-hexyl)carbamoyl]benzenesulfonic acid Openeye Name: 3-[(6-benzyloxy-6-oxo-hexyl)carbamoyl]-5-nitro-benzenesulfonic acid CAS Name: 3-nitro-5-[oxo-[(6-oxo-6-phenylmethoxyhexyl)amino]methyl]benzenesulfonic acid IUPAC Name: 3-nitro-5-[(6-oxo-6-phenylmethoxyhexyl)carbamoyl]benzenesulfonic acid Traditional Name: 3-[(6-benzoxy-6-keto-hexyl)carbamoyl]-5-nitro-besylic acid Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8S/c23-19(30-14-15-7-3-1-4-8-15)9-5-2-6-10-21-20(24)16-11-17(22(25)26)13-18(12-16)31(27,28)29/h1,3-4,7-8,11-13H,2,5-6,9-10,14H2,(H,21,24)(H,27,28,29)