1,3-bis(oxidanylidene)-2-(5-sulfonaphthalen-1-yl)benzo[de]isoquinoline-6-carboxylic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-(5-sulfonaphthalen-1-yl)benzo[de]isoquinoline-6-carboxylic acid Openeye Name: 1,3-dioxo-2-(5-sulfo-1-naphthyl)benzo[de]isoquinoline-6-carboxylic acid CAS Name: 1,3-dioxo-2-(5-sulfo-1-naphthalenyl)-6-benzo[de]isoquinolinecarboxylic acid IUPAC Name: 1,3-dioxo-2-(5-sulfonaphthalen-1-yl)benzo[de]isoquinoline-6-carboxylic acid Traditional Name: 1,3-diketo-2-(5-sulfo-1-naphthyl)benzo[de]isoquinoline-6-carboxylic acid Formula: C23H13NO7S MolecularWeight: 447.41682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC=CC5=C4C=CC=C5S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC=CC5=C4C=CC=C5S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C23H13NO7S/c25-21-16-7-1-6-14-15(23(27)28)10-11-17(20(14)16)22(26)24(21)18-8-2-5-13-12(18)4-3-9-19(13)32(29,30)31/h1-11H,(H,27,28)(H,29,30,31)