1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(propanoylamino)phenyl]amino]anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(propanoylamino)phenyl]amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-[4-(propanoylamino)anilino]anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[4-(1-oxopropylamino)anilino]-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[4-(propanoylamino)anilino]anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(4-propionamidoanilino)anthracene-2-sulfonic acid Formula: C23H19N3O6S MolecularWeight: 465.47846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C23H19N3O6S/c1-2-18(27)26-13-9-7-12(8-10-13)25-16-11-17(33(30,31)32)21(24)20-19(16)22(28)14-5-3-4-6-15(14)23(20)29/h3-11,25H,2,24H2,1H3,(H,26,27)(H,30,31,32)