3-azanyl-4-bromanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 3-azanyl-4-bromanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 3-amino-4-bromo-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 3-amino-4-bromo-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 3-amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 3-amino-4-bromo-9,10-diketo-anthracene-2-sulfonic acid Formula: C14H8BrNO5S MolecularWeight: 382.18602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)Br)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)Br)N)S(=O)(=O)O

InChI

InChI=1S/C14H8BrNO5S/c15-11-10-8(5-9(12(11)16)22(19,20)21)13(17)6-3-1-2-4-7(6)14(10)18/h1-5H,16H2,(H,19,20,21)