disodium 4,5-bis(azanyl)-1-oxidanyl-9,10-bis(oxidanylidene)anthracene-2,7-disulfonate

Systemtic Name: disodium 4,5-bis(azanyl)-1-oxidanyl-9,10-bis(oxidanylidene)anthracene-2,7-disulfonate Openeye Name: disodium 4,5-diamino-1-hydroxy-9,10-dioxo-anthracene-2,7-disulfonate CAS Name: disodium 4,5-diamino-1-hydroxy-9,10-dioxoanthracene-2,7-disulfonate IUPAC Name: disodium 4,5-diamino-1-hydroxy-9,10-dioxoanthracene-2,7-disulfonate Traditional Name: disodium 4,5-diamino-1-hydroxy-9,10-diketo-anthracene-2,7-disulfonate Formula: C14H8N2Na2O9S2 MolecularWeight: 458.33086

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1N)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=C(C=C2C(=C1N)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H10N2O9S2.2Na/c15-6-2-4(26(20,21)22)1-5-9(6)14(19)10-7(16)3-8(27(23,24)25)13(18)11(10)12(5)17;;/h1-3,18H,15-16H2,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2