2-(4-aminophenyl)sulfanyl-5-nitro-benzenesulfonic acid

Systemtic Name: 2-(4-aminophenyl)sulfanyl-5-nitro-benzenesulfonic acid Openeye Name: 2-(4-aminophenyl)sulfanyl-5-nitro-benzenesulfonic acid CAS Name: 2-[(4-aminophenyl)thio]-5-nitrobenzenesulfonic acid IUPAC Name: 2-(4-aminophenyl)sulfanyl-5-nitrobenzenesulfonic acid Traditional Name: 2-[(4-aminophenyl)thio]-5-nitro-besylic acid Formula: C12H10N2O5S2 MolecularWeight: 326.3482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C12H10N2O5S2/c13-8-1-4-10(5-2-8)20-11-6-3-9(14(15)16)7-12(11)21(17,18)19/h1-7H,13H2,(H,17,18,19)