2-(4-chlorophenyl)-6-methoxy-8-nitro-quinoline-5-sulfinic acid

Systemtic Name: 2-(4-chlorophenyl)-6-methoxy-8-nitro-quinoline-5-sulfinic acid Openeye Name: 2-(4-chlorophenyl)-6-methoxy-8-nitro-quinoline-5-sulfinic acid CAS Name: 2-(4-chlorophenyl)-6-methoxy-8-nitro-5-quinolinesulfinic acid IUPAC Name: 2-(4-chlorophenyl)-6-methoxy-8-nitroquinoline-5-sulfinic acid Traditional Name: 2-(4-chlorophenyl)-6-methoxy-8-nitro-quinoline-5-sulfinic acid Formula: C16H11ClN2O5S MolecularWeight: 378.78694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)C3=CC=C(C=C3)Cl)S(=O)O

Isomeric SMILES

COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)C3=CC=C(C=C3)Cl)S(=O)O

InChI

InChI=1S/C16H11ClN2O5S/c1-24-14-8-13(19(20)21)15-11(16(14)25(22)23)6-7-12(18-15)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,22,23)