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

Systemtic Name: 2-(3-aminophenyl)-6-azanyl-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonate Openeye Name: 6-amino-2-(3-aminophenyl)-1,3-dioxo-benzo[de]isoquinoline-5,8-disulfonate CAS Name: 6-amino-2-(3-aminophenyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate IUPAC Name: 6-amino-2-(3-aminophenyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate Traditional Name: 6-amino-2-(3-aminophenyl)-1,3-diketo-benzo[de]isoquinoline-5,8-disulfonate Formula: C18H11N3O8S2-2 MolecularWeight: 461.42524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)N2C(=O)C3=CC(=C(C4=CC(=CC(=C43)C2=O)S(=O)(=O)[O-])N)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N)N2C(=O)C3=CC(=C(C4=CC(=CC(=C43)C2=O)S(=O)(=O)[O-])N)S(=O)(=O)[O-]

InChI

InChI=1S/C18H13N3O8S2/c19-8-2-1-3-9(4-8)21-17(22)12-6-10(30(24,25)26)5-11-15(12)13(18(21)23)7-14(16(11)20)31(27,28)29/h1-7H,19-20H2,(H,24,25,26)(H,27,28,29)/p-2