7-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[[[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[(1,4-diketo-2,3-dihydrophthalazin-5-yl)carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C19H14N4O7S MolecularWeight: 442.40206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)C(=O)NNC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)C(=O)NNC2=O

InChI

InChI=1S/C19H14N4O7S/c24-15-8-11(31(28,29)30)7-9-6-10(4-5-12(9)15)20-19(27)21-14-3-1-2-13-16(14)18(26)23-22-17(13)25/h1-8,24H,(H,22,25)(H,23,26)(H2,20,21,27)(H,28,29,30)