disodium 5-azanyl-9,10-bis(oxidanylidene)anthracene-1,6-disulfonate

Systemtic Name: disodium 5-azanyl-9,10-bis(oxidanylidene)anthracene-1,6-disulfonate Openeye Name: disodium 5-amino-9,10-dioxo-anthracene-1,6-disulfonate CAS Name: disodium 5-amino-9,10-dioxoanthracene-1,6-disulfonate IUPAC Name: disodium 5-amino-9,10-dioxoanthracene-1,6-disulfonate Traditional Name: disodium 5-amino-9,10-diketo-anthracene-1,6-disulfonate Formula: C14H7NNa2O8S2 MolecularWeight: 427.31682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C14H9NO8S2.2Na/c15-12-9(25(21,22)23)5-4-7-11(12)14(17)6-2-1-3-8(24(18,19)20)10(6)13(7)16;;/h1-5H,15H2,(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2