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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2,2-bis[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2,2-bis[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2,2-bis[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2,2-bis[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2,2-bis[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Formula: C32H37NO5S MolecularWeight: 547.70488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)CCC4=CC=C(C=C4)O)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)CCC4=CC=C(C=C4)O)O)C(C)(C)C)N

InChI

InChI=1S/C32H37NO5S/c1-20-17-28(25(18-26(20)33)31(2,3)4)39-29-27(36)19-32(38-30(29)37,15-13-21-5-9-23(34)10-6-21)16-14-22-7-11-24(35)12-8-22/h5-12,17-18,34-35,37H,13-16,19,33H2,1-4H3