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

Systemtic Name: trisodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(2-phosphonatooxyethylsulfonyl)phenyl]amino]anthracene-2-sulfonate Openeye Name: trisodium 1-amino-9,10-dioxo-4-[3-(2-phosphonatooxyethylsulfonyl)anilino]anthracene-2-sulfonate CAS Name: trisodium 1-amino-9,10-dioxo-4-[3-(2-phosphonatooxyethylsulfonyl)anilino]-2-anthracenesulfonate IUPAC Name: trisodium 1-amino-9,10-dioxo-4-[3-(2-phosphonatooxyethylsulfonyl)anilino]anthracene-2-sulfonate Traditional Name: trisodium 1-amino-9,10-diketo-4-[3-(2-phosphatoethylsulfonyl)anilino]anthracene-2-sulfonate Formula: C22H16N2Na3O11PS2 MolecularWeight: 648.442311

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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)S(=O)(=O)CCOP(=O)([O-])[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C22H19N2O11PS2.3Na/c23-20-17(38(32,33)34)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)37(30,31)9-8-35-36(27,28)29;;;/h1-7,10-11,24H,8-9,23H2,(H2,27,28,29)(H,32,33,34);;;/q;3*+1/p-3