quinolin-8-yl 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: quinolin-8-yl 4-methyl-3-nitro-benzenesulfonate Openeye Name: 8-quinolyl 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid 8-quinolyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5S/c1-11-7-8-13(10-14(11)18(19)20)24(21,22)23-15-6-2-4-12-5-3-9-17-16(12)15/h2-10H,1H3