sodium 4-[[7-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]benzoate

Systemtic Name: sodium 4-[[7-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]benzoate Openeye Name: sodium 4-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoate CAS Name: sodium 4-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoate IUPAC Name: sodium 4-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoate Traditional Name: sodium 4-[(7-chloro-2,4-diketo-1H-quinazolin-3-yl)sulfonyl]benzoate Formula: C15H8ClN2NaO6S MolecularWeight: 402.74159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O.[Na+]

InChI

InChI=1S/C15H9ClN2O6S.Na/c16-9-3-6-11-12(7-9)17-15(22)18(13(11)19)25(23,24)10-4-1-8(2-5-10)14(20)21;/h1-7H,(H,17,22)(H,20,21);/q;+1/p-1