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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C3=C1C(=O)NC(=O)C3=CC(=C2NCCN)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=C(C=C2C3=C1C(=O)NC(=O)C3=CC(=C2NCCN)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

InChI

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