4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracene-1-sulfonic acid Openeye Name: 4-amino-3-bromo-9,10-dioxo-anthracene-1-sulfonic acid CAS Name: 4-amino-3-bromo-9,10-dioxo-1-anthracenesulfonic acid IUPAC Name: 4-amino-3-bromo-9,10-dioxoanthracene-1-sulfonic acid Traditional Name: 4-amino-3-bromo-9,10-diketo-anthracene-1-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=C(C2=O)C(=C(C=C3S(=O)(=O)O)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3S(=O)(=O)O)Br)N

InChI

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