1-azanyl-9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(isopropylamino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-(propan-2-ylamino)-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-(propan-2-ylamino)anthracene-2-sulfonic acid Traditional Name: 1-amino-4-(isopropylamino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)O

Isomeric SMILES

CC(C)NC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)O

InChI

InChI=1S/C17H16N2O5S/c1-8(2)19-11-7-12(25(22,23)24)15(18)14-13(11)16(20)9-5-3-4-6-10(9)17(14)21/h3-8,19H,18H2,1-2H3,(H,22,23,24)