6-azanyl-1,3-bis(oxidanylidene)-2-phenyl-8-(trioxidanylsulfanyl)benzo[de]isoquinoline-5-sulfonic acid

Systemtic Name: 6-azanyl-1,3-bis(oxidanylidene)-2-phenyl-8-(trioxidanylsulfanyl)benzo[de]isoquinoline-5-sulfonic acid Openeye Name: 6-amino-1,3-dioxo-2-phenyl-8-(trioxidanylsulfanyl)benzo[de]isoquinoline-5-sulfonic acid CAS Name: 6-amino-1,3-dioxo-2-phenyl-8-(trioxidanylthio)-5-benzo[de]isoquinolinesulfonic acid IUPAC Name: 6-amino-1,3-dioxo-2-phenyl-8-(trioxidanylsulfanyl)benzo[de]isoquinoline-5-sulfonic acid Traditional Name: 6-amino-1,3-diketo-2-phenyl-8-(trioxidanylthio)benzo[de]isoquinoline-5-sulfonic acid Formula: C18H12N2O8S2 MolecularWeight: 448.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC(=C(C4=CC(=CC(=C43)C2=O)SOOO)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC(=C(C4=CC(=CC(=C43)C2=O)SOOO)N)S(=O)(=O)O

InChI

InChI=1S/C18H12N2O8S2/c19-16-11-6-10(29-28-27-23)7-12-15(11)13(8-14(16)30(24,25)26)18(22)20(17(12)21)9-4-2-1-3-5-9/h1-8,23H,19H2,(H,24,25,26)