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

Systemtic Name: 2-(2-azaniumylethyl)-6-azanyl-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonate Openeye Name: 6-amino-2-(2-azaniumylethyl)-1,3-dioxo-benzo[de]isoquinoline-5,8-disulfonate CAS Name: 6-amino-2-(2-ammonioethyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate IUPAC Name: 6-amino-2-(2-azaniumylethyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate Traditional Name: 6-amino-2-(2-ammonioethyl)-1,3-diketo-benzo[de]isoquinoline-5,8-disulfonate Formula: C14H12N3O8S2- MolecularWeight: 414.39038

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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-])CC[NH3+])S(=O)(=O)[O-]

Isomeric SMILES

C1=C(C=C2C3=C1C(=O)N(C(=O)C3=CC(=C2N)S(=O)(=O)[O-])CC[NH3+])S(=O)(=O)[O-]

InChI

InChI=1S/C14H13N3O8S2/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)/p-1