5-(2-azanylpentylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-4,9-disulfonic acid

Systemtic Name: 5-(2-azanylpentylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-4,9-disulfonic acid Openeye Name: 5-(2-aminopentylamino)-1,3-dioxo-benzo[de]isoquinoline-4,9-disulfonic acid CAS Name: 5-(2-aminopentylamino)-1,3-dioxobenzo[de]isoquinoline-4,9-disulfonic acid IUPAC Name: 5-(2-aminopentylamino)-1,3-dioxobenzo[de]isoquinoline-4,9-disulfonic acid Traditional Name: 5-(2-aminopentylamino)-1,3-diketo-benzo[de]isoquinoline-4,9-disulfonic acid Formula: C17H19N3O8S2 MolecularWeight: 457.47806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC1=C(C2=C3C(=C1)C=CC(=C3C(=O)NC2=O)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

CCCC(CNC1=C(C2=C3C(=C1)C=CC(=C3C(=O)NC2=O)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C17H19N3O8S2/c1-2-3-9(18)7-19-10-6-8-4-5-11(29(23,24)25)13-12(8)14(15(10)30(26,27)28)17(22)20-16(13)21/h4-6,9,19H,2-3,7,18H2,1H3,(H,20,21,22)(H,23,24,25)(H,26,27,28)