1-azanyl-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid

Systemtic Name: 1-azanyl-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Openeye Name: 1-amino-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid CAS Name: 1-amino-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid IUPAC Name: 1-amino-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Traditional Name: 1-amino-12H-benzo[a]thioxanthene-3,4-dicarboxylic acid Formula: C19H13NO4S MolecularWeight: 351.37582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC3=C1C4=C(C=C(C(=C4C=C3)C(=O)O)C(=O)O)N

Isomeric SMILES

C1C2=CC=CC=C2SC3=C1C4=C(C=C(C(=C4C=C3)C(=O)O)C(=O)O)N

InChI

InChI=1S/C19H13NO4S/c20-13-8-12(18(21)22)17(19(23)24)10-5-6-15-11(16(10)13)7-9-3-1-2-4-14(9)25-15/h1-6,8H,7,20H2,(H,21,22)(H,23,24)