5-methyl-4-oxidanyl-2-phenyl-1-[4-[tris(oxidanyl)-$l^{4}-sulfanyl]butyl]pyrazol-3-one

Systemtic Name: 5-methyl-4-oxidanyl-2-phenyl-1-[4-[tris(oxidanyl)-$l^{4}-sulfanyl]butyl]pyrazol-3-one Openeye Name: 4-hydroxy-5-methyl-2-phenyl-1-[4-(trihydroxy-$l^{4}-sulfanyl)butyl]pyrazol-3-one CAS Name: 4-hydroxy-5-methyl-2-phenyl-1-[4-(trihydroxy-$l^{4}-sulfanyl)butyl]-3-pyrazolone IUPAC Name: 4-hydroxy-5-methyl-2-phenyl-1-[4-(trihydroxy-$l^{4}-sulfanyl)butyl]pyrazol-3-one Traditional Name: 4-hydroxy-5-methyl-2-phenyl-1-(4-trihydroxysulfuranylbutyl)-3-pyrazolin-3-one Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1CCCCS(O)(O)O)C2=CC=CC=C2)O

Isomeric SMILES

CC1=C(C(=O)N(N1CCCCS(O)(O)O)C2=CC=CC=C2)O

InChI

InChI=1S/C14H20N2O5S/c1-11-13(17)14(18)16(12-7-3-2-4-8-12)15(11)9-5-6-10-22(19,20)21/h2-4,7-8,17,19-21H,5-6,9-10H2,1H3