4-[2-azanyl-3,6-bis(chloranyl)phenyl]sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-[2-azanyl-3,6-bis(chloranyl)phenyl]sulfanyl-3-nitro-benzoic acid Openeye Name: 4-(2-amino-3,6-dichloro-phenyl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(2-amino-3,6-dichlorophenyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(2-amino-3,6-dichlorophenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(2-amino-3,6-dichloro-phenyl)thio]-3-nitro-benzoic acid Formula: C13H8Cl2N2O4S MolecularWeight: 359.18462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=C(C=CC(=C2N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=C(C=CC(=C2N)Cl)Cl

InChI

InChI=1S/C13H8Cl2N2O4S/c14-7-2-3-8(15)12(11(7)16)22-10-4-1-6(13(18)19)5-9(10)17(20)21/h1-5H,16H2,(H,18,19)