disodium 3-[1-oxidanylidene-4-(3-sulfonatopropoxy)phthalazin-2-yl]propane-1-sulfonate

Systemtic Name: disodium 3-[1-oxidanylidene-4-(3-sulfonatopropoxy)phthalazin-2-yl]propane-1-sulfonate Openeye Name: disodium 3-[1-oxo-4-(3-sulfonatopropoxy)phthalazin-2-yl]propane-1-sulfonate CAS Name: disodium 3-[1-oxo-4-(3-sulfonatopropoxy)-2-phthalazinyl]-1-propanesulfonate IUPAC Name: disodium 3-[1-oxo-4-(3-sulfonatopropoxy)phthalazin-2-yl]propane-1-sulfonate Traditional Name: disodium 3-[1-keto-4-(3-sulfonatopropoxy)phthalazin-2-yl]propane-1-sulfonate Formula: C14H16N2Na2O8S2 MolecularWeight: 450.39498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCCS(=O)(=O)[O-])OCCCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCCS(=O)(=O)[O-])OCCCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H18N2O8S2.2Na/c17-14-12-6-2-1-5-11(12)13(24-8-4-10-26(21,22)23)15-16(14)7-3-9-25(18,19)20;;/h1-2,5-6H,3-4,7-10H2,(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2