dipotassium 6-azanyl-2-(2-azanylethyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonate

Systemtic Name: dipotassium 6-azanyl-2-(2-azanylethyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonate Openeye Name: dipotassium 6-amino-2-(2-aminoethyl)-1,3-dioxo-benzo[de]isoquinoline-5,8-disulfonate CAS Name: dipotassium 6-amino-2-(2-aminoethyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate IUPAC Name: dipotassium 6-amino-2-(2-aminoethyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate Traditional Name: dipotassium 6-amino-2-(2-aminoethyl)-1,3-diketo-benzo[de]isoquinoline-5,8-disulfonate Formula: C14H11K2N3O8S2 MolecularWeight: 491.57904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C3=C1C(=O)N(C(=O)C3=CC(=C2N)S(=O)(=O)[O-])CCN)S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=C(C=C2C3=C1C(=O)N(C(=O)C3=CC(=C2N)S(=O)(=O)[O-])CCN)S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C14H13N3O8S2.2K/c15-1-2-17-13(18)8-4-6(26(20,21)22)3-7-11(8)9(14(17)19)5-10(12(7)16)27(23,24)25;;/h3-5H,1-2,15-16H2,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2