6-(5-azanylpentylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonic acid

Systemtic Name: 6-(5-azanylpentylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonic acid Openeye Name: 6-(5-aminopentylamino)-1,3-dioxo-benzo[de]isoquinoline-5,8-disulfonic acid CAS Name: 6-(5-aminopentylamino)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid IUPAC Name: 6-(5-aminopentylamino)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid Traditional Name: 6-(5-aminopentylamino)-1,3-diketo-benzo[de]isoquinoline-5,8-disulfonic acid Formula: C17H19N3O8S2 MolecularWeight: 457.47806

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C3=C1C(=O)NC(=O)C3=CC(=C2NCCCCCN)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C2C3=C1C(=O)NC(=O)C3=CC(=C2NCCCCCN)S(=O)(=O)O)S(=O)(=O)O

InChI

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