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

Systemtic Name: sodium 1-azanyl-4-[[3-(2-oxidanylethanoylamino)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[3-[(2-hydroxyacetyl)amino]anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[3-[(2-hydroxy-1-oxoethyl)amino]anilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[3-[(2-hydroxyacetyl)amino]anilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-[3-(glycoloylamino)anilino]-9,10-diketo-anthracene-2-sulfonate Formula: C22H16N3NaO7S MolecularWeight: 489.43311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)NC(=O)CO)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)NC(=O)CO)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C22H17N3O7S.Na/c23-20-16(33(30,31)32)9-15(24-11-4-3-5-12(8-11)25-17(27)10-26)18-19(20)22(29)14-7-2-1-6-13(14)21(18)28;/h1-9,24,26H,10,23H2,(H,25,27)(H,30,31,32);/q;+1/p-1