(4-nitro-2-thiophen-2-yl-phenyl) 3-methylquinoline-8-sulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 3-methylquinoline-8-sulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-sulfonic acid [4-nitro-2-(2-thienyl)phenyl] ester Formula: C20H14N2O5S2 MolecularWeight: 426.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H14N2O5S2/c1-13-10-14-4-2-6-19(20(14)21-12-13)29(25,26)27-17-8-7-15(22(23)24)11-16(17)18-5-3-9-28-18/h2-12H,1H3