4-[[6-(4-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl]oxy]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[[6-(4-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl]oxy]-2-methyl-phthalazin-1-one Openeye Name: 4-[3-hydroxy-6-(4-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-chroman-4-yl]oxy-2-methyl-phthalazin-1-one CAS Name: 4-[[3-hydroxy-6-(4-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-2-methyl-1-phthalazinone IUPAC Name: 4-[[3-hydroxy-6-(4-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylphthalazin-1-one Traditional Name: 4-[3-hydroxy-6-(4-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-chroman-4-yl]oxy-2-methyl-phthalazin-1-one Formula: C27H26N2O7S MolecularWeight: 522.56954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)O)OC4=NN(C(=O)C5=CC=CC=C54)C)(C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)O)OC4=NN(C(=O)C5=CC=CC=C54)C)(C)O)C

InChI

InChI=1S/C27H26N2O7S/c1-26(2)27(3,32)23(35-24-19-7-5-6-8-20(19)25(31)29(4)28-24)21-15-18(13-14-22(21)36-26)37(33,34)17-11-9-16(30)10-12-17/h5-15,23,30,32H,1-4H3