7-nitroquinolin-8-ol; 2-phenylsulfanylbenzoic acid

Systemtic Name: 7-nitroquinolin-8-ol; 2-phenylsulfanylbenzoic acid Openeye Name: 7-nitroquinolin-8-ol; 2-phenylsulfanylbenzoic acid CAS Name: 7-nitro-8-quinolinol; 2-(phenylthio)benzoic acid IUPAC Name: 7-nitroquinolin-8-ol; 2-phenylsulfanylbenzoic acid Traditional Name: 7-nitroquinolin-8-ol; 2-(phenylthio)benzoic acid Formula: C22H16N2O5S MolecularWeight: 420.43784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)O.C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])O)N=C1

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)O.C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])O)N=C1

InChI

InChI=1S/C13H10O2S.C9H6N2O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10;12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9/h1-9H,(H,14,15);1-5,12H