(phenylmethyl) 4-nitroquinoline-2-sulfonate

Systemtic Name: (phenylmethyl) 4-nitroquinoline-2-sulfonate Openeye Name: benzyl 4-nitroquinoline-2-sulfonate CAS Name: 4-nitro-2-quinolinesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 4-nitroquinoline-2-sulfonate Traditional Name: 4-nitroquinoline-2-sulfonic acid benzyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COS(=O)(=O)C2=NC3=CC=CC=C3C(=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COS(=O)(=O)C2=NC3=CC=CC=C3C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5S/c19-18(20)15-10-16(17-14-9-5-4-8-13(14)15)24(21,22)23-11-12-6-2-1-3-7-12/h1-10H,11H2