4aH-benzo[b]thioxanthene; 2,4,6-trinitrobenzenesulfonic acid

Systemtic Name: 4aH-benzo[b]thioxanthene; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: 4aH-benzo[b]thioxanthene; 2,4,6-trinitrobenzenesulfonic acid CAS Name: 4aH-benzo[b]thioxanthene; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: 4aH-benzo[b]thioxanthene; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: 4aH-benzo[b]thioxanthene; 2,4,6-trinitrobesylic acid Formula: C23H15N3O9S2 MolecularWeight: 541.5099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C=C4C=CC=CC4S3.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C=C4C=CC=CC4S3.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12S.C6H3N3O9S/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)18-17;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-11,16H;1-2H,(H,16,17,18)