[5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] sulfamate

Systemtic Name: [5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] sulfamate Openeye Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] sulfamate CAS Name: sulfamic acid [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methylphenyl] sulfamate Traditional Name: sulfamic acid [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-keto-2-methyl-3H-pyran-5-yl]thio]-2-methyl-phenyl] ester Formula: C25H31NO7S2 MolecularWeight: 521.64614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C)CCC3=CC=C(C=C3)O)O)C(C)(C)C)OS(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C)CCC3=CC=C(C=C3)O)O)C(C)(C)C)OS(=O)(=O)N

InChI

InChI=1S/C25H31NO7S2/c1-15-12-21(18(24(2,3)4)13-20(15)33-35(26,30)31)34-22-19(28)14-25(5,32-23(22)29)11-10-16-6-8-17(27)9-7-16/h6-9,12-13,27,29H,10-11,14H2,1-5H3,(H2,26,30,31)