5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-2-pentyl-3H-pyran-4-one

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-2-pentyl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-pentyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-pentyl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-pentyl-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-2-amyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Formula: C29H39NO4S MolecularWeight: 497.68926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CC(=O)C(=C(O1)O)SC2=CC(=C(C=C2C(C)(C)C)N)C)CCC3=CC=C(C=C3)O

Isomeric SMILES

CCCCCC1(CC(=O)C(=C(O1)O)SC2=CC(=C(C=C2C(C)(C)C)N)C)CCC3=CC=C(C=C3)O

InChI

InChI=1S/C29H39NO4S/c1-6-7-8-14-29(15-13-20-9-11-21(31)12-10-20)18-24(32)26(27(33)34-29)35-25-16-19(2)23(30)17-22(25)28(3,4)5/h9-12,16-17,31,33H,6-8,13-15,18,30H2,1-5H3