1-azanyl-4-[[3-(2-hydroxyethylsulfamoyl)-4,5-dimethyl-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[3-(2-hydroxyethylsulfamoyl)-4,5-dimethyl-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethyl-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethylanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethyl-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C24H23N3O8S2 MolecularWeight: 545.58472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCCO)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCCO)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C24H23N3O8S2/c1-12-9-14(10-18(13(12)2)36(31,32)26-7-8-28)27-17-11-19(37(33,34)35)22(25)21-20(17)23(29)15-5-3-4-6-16(15)24(21)30/h3-6,9-11,26-28H,7-8,25H2,1-2H3,(H,33,34,35)