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

Systemtic Name: dipotassium 6-azanyl-2-(5-azanylpentyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonate Openeye Name: dipotassium 6-amino-2-(5-aminopentyl)-1,3-dioxo-benzo[de]isoquinoline-5,8-disulfonate CAS Name: dipotassium 6-amino-2-(5-aminopentyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate IUPAC Name: dipotassium 6-amino-2-(5-aminopentyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate Traditional Name: dipotassium 6-amino-2-(5-aminopentyl)-1,3-diketo-benzo[de]isoquinoline-5,8-disulfonate Formula: C17H17K2N3O8S2 MolecularWeight: 533.65878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O8S2.2K/c18-4-2-1-3-5-20-16(21)11-7-9(29(23,24)25)6-10-14(11)12(17(20)22)8-13(15(10)19)30(26,27)28;;/h6-8H,1-5,18-19H2,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2