1-[6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl]-2-oxidanyl-pyridazin-2-ium-4-one

Systemtic Name: 1-[6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl]-2-oxidanyl-pyridazin-2-ium-4-one Openeye Name: 2-hydroxy-1-[3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-chroman-4-yl]pyridazin-2-ium-4-one CAS Name: 2-hydroxy-1-[3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-4-pyridazin-2-iumone IUPAC Name: 2-hydroxy-1-[3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]pyridazin-2-ium-4-one Traditional Name: 2-hydroxy-1-[3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-chroman-4-yl]pyridazin-2-ium-4-one Formula: C22H23N2O7S+ MolecularWeight: 459.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)O)N4C=CC(=O)C=[N+]4O)(C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)O)N4C=CC(=O)C=[N+]4O)(C)O)C

InChI

InChI=1S/C22H22N2O7S/c1-21(2)22(3,27)20(23-10-9-15(26)13-24(23)28)18-12-17(7-8-19(18)31-21)32(29,30)16-6-4-5-14(25)11-16/h4-13,20,27H,1-3H3,(H-,25,26,28)/p+1