6-azanyl-1,3-bis(oxidanylidene)-2-(3-oxidanylpropyl)benzo[de]isoquinoline-5,8-disulfonic acid

Systemtic Name: 6-azanyl-1,3-bis(oxidanylidene)-2-(3-oxidanylpropyl)benzo[de]isoquinoline-5,8-disulfonic acid Openeye Name: 6-amino-2-(3-hydroxypropyl)-1,3-dioxo-benzo[de]isoquinoline-5,8-disulfonic acid CAS Name: 6-amino-2-(3-hydroxypropyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid IUPAC Name: 6-amino-2-(3-hydroxypropyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid Traditional Name: 6-amino-2-(3-hydroxypropyl)-1,3-diketo-benzo[de]isoquinoline-5,8-disulfonic acid Formula: C15H14N2O9S2 MolecularWeight: 430.40966

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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)CCCO)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C2C3=C1C(=O)N(C(=O)C3=CC(=C2N)S(=O)(=O)O)CCCO)S(=O)(=O)O

InChI

InChI=1S/C15H14N2O9S2/c16-13-8-4-7(27(21,22)23)5-9-12(8)10(6-11(13)28(24,25)26)15(20)17(14(9)19)2-1-3-18/h4-6,18H,1-3,16H2,(H,21,22,23)(H,24,25,26)