sodium 6-azanyl-2-(4-methylphenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5-sulfonate

Systemtic Name: sodium 6-azanyl-2-(4-methylphenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5-sulfonate Openeye Name: sodium 6-amino-1,3-dioxo-2-(p-tolyl)benzo[de]isoquinoline-5-sulfonate CAS Name: sodium 6-amino-2-(4-methylphenyl)-1,3-dioxo-5-benzo[de]isoquinolinesulfonate IUPAC Name: sodium 6-amino-2-(4-methylphenyl)-1,3-dioxobenzo[de]isoquinoline-5-sulfonate Traditional Name: sodium 6-amino-1,3-diketo-2-(p-tolyl)benzo[de]isoquinoline-5-sulfonate Formula: C19H13N2NaO5S MolecularWeight: 404.37169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)[O-])C2=O.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)[O-])C2=O.[Na+]

InChI

InChI=1S/C19H14N2O5S.Na/c1-10-5-7-11(8-6-10)21-18(22)13-4-2-3-12-16(13)14(19(21)23)9-15(17(12)20)27(24,25)26;/h2-9H,20H2,1H3,(H,24,25,26);/q;+1/p-1