4-[4-(3,4-diethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(3,4-diethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonic acid Openeye Name: 4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonic acid CAS Name: 4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonic acid IUPAC Name: 4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonic acid Traditional Name: 4-[4-(3,4-diethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]besylic acid Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)S(=O)(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)S(=O)(=O)O)OCC

InChI

InChI=1S/C24H26N2O6S/c1-3-31-21-14-9-16(15-22(21)32-4-2)23-19-7-5-6-8-20(19)24(27)26(25-23)17-10-12-18(13-11-17)33(28,29)30/h5-6,9-15,19-20H,3-4,7-8H2,1-2H3,(H,28,29,30)