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

Systemtic Name: sodium 1-azanyl-4-[[3-(2-hydroxyethylsulfonyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfonyl)anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfonyl)anilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfonyl)anilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfonyl)anilino]-9,10-diketo-anthracene-2-sulfonate Formula: C22H17N2NaO8S2 MolecularWeight: 524.49875

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

InChI

InChI=1S/C22H18N2O8S2.Na/c23-20-17(34(30,31)32)11-16(24-12-4-3-5-13(10-12)33(28,29)9-8-25)18-19(20)22(27)15-7-2-1-6-14(15)21(18)26;/h1-7,10-11,24-25H,8-9,23H2,(H,30,31,32);/q;+1/p-1