4-[4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-3-yl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-3-yl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonic acid Openeye Name: 4-[4-(7-methoxy-2,2-dimethyl-3H-benzofuran-3-yl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonic acid CAS Name: 4-[4-(7-methoxy-2,2-dimethyl-3H-benzofuran-3-yl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonic acid IUPAC Name: 4-[4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-3-yl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonic acid Traditional Name: 4-[1-keto-4-(7-methoxy-2,2-dimethyl-coumaran-3-yl)-4a,5,8,8a-tetrahydrophthalazin-2-yl]besylic acid Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=C(O1)C(=CC=C2)OC)C3=NN(C(=O)C4C3CC=CC4)C5=CC=C(C=C5)S(=O)(=O)O)C

Isomeric SMILES

CC1(C(C2=C(O1)C(=CC=C2)OC)C3=NN(C(=O)C4C3CC=CC4)C5=CC=C(C=C5)S(=O)(=O)O)C

InChI

InChI=1S/C25H26N2O6S/c1-25(2)21(19-9-6-10-20(32-3)23(19)33-25)22-17-7-4-5-8-18(17)24(28)27(26-22)15-11-13-16(14-12-15)34(29,30)31/h4-6,9-14,17-18,21H,7-8H2,1-3H3,(H,29,30,31)