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

Systemtic Name: 6-azanyl-1,3-bis(oxidanylidene)-2-(3-oxidanylpropyl)benzo[de]isoquinoline-5-sulfonate Openeye Name: 6-amino-2-(3-hydroxypropyl)-1,3-dioxo-benzo[de]isoquinoline-5-sulfonate CAS Name: 6-amino-2-(3-hydroxypropyl)-1,3-dioxo-5-benzo[de]isoquinolinesulfonate IUPAC Name: 6-amino-2-(3-hydroxypropyl)-1,3-dioxobenzo[de]isoquinoline-5-sulfonate Traditional Name: 6-amino-2-(3-hydroxypropyl)-1,3-diketo-benzo[de]isoquinoline-5-sulfonate Formula: C15H13N2O6S- MolecularWeight: 349.33852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2N)S(=O)(=O)[O-])CCCO

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2N)S(=O)(=O)[O-])CCCO

InChI

InChI=1S/C15H14N2O6S/c16-13-8-3-1-4-9-12(8)10(7-11(13)24(21,22)23)15(20)17(14(9)19)5-2-6-18/h1,3-4,7,18H,2,5-6,16H2,(H,21,22,23)/p-1