sodium 1,3-bis(oxidanylidene)-2-(phenylsulfonyloxy)benzo[de]isoquinoline-6-sulfonate

Systemtic Name: sodium 1,3-bis(oxidanylidene)-2-(phenylsulfonyloxy)benzo[de]isoquinoline-6-sulfonate Openeye Name: sodium 2-(benzenesulfonyloxy)-1,3-dioxo-benzo[de]isoquinoline-6-sulfonate CAS Name: sodium 2-(benzenesulfonyloxy)-1,3-dioxo-6-benzo[de]isoquinolinesulfonate IUPAC Name: sodium 2-(benzenesulfonyloxy)-1,3-dioxobenzo[de]isoquinoline-6-sulfonate Traditional Name: sodium 2-besyloxy-1,3-diketo-benzo[de]isoquinoline-6-sulfonate Formula: C18H10NNaO8S2 MolecularWeight: 455.39367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C4C(=C(C=C3)S(=O)(=O)[O-])C=CC=C4C2=O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C4C(=C(C=C3)S(=O)(=O)[O-])C=CC=C4C2=O.[Na+]

InChI

InChI=1S/C18H11NO8S2.Na/c20-17-13-8-4-7-12-15(28(22,23)24)10-9-14(16(12)13)18(21)19(17)27-29(25,26)11-5-2-1-3-6-11;/h1-10H,(H,22,23,24);/q;+1/p-1