sodium 1-azanyl-4-[[3-(2-hydroxyethylsulfamoyl)-4-methyl-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[[3-(2-hydroxyethylsulfamoyl)-4-methyl-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4-methyl-anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4-methylanilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4-methylanilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4-methyl-anilino]-9,10-diketo-anthracene-2-sulfonate Formula: C23H20N3NaO8S2 MolecularWeight: 553.53997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)NCCO.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)NCCO.[Na+]

InChI

InChI=1S/C23H21N3O8S2.Na/c1-12-6-7-13(10-17(12)35(30,31)25-8-9-27)26-16-11-18(36(32,33)34)21(24)20-19(16)22(28)14-4-2-3-5-15(14)23(20)29;/h2-7,10-11,25-27H,8-9,24H2,1H3,(H,32,33,34);/q;+1/p-1