1-[4-(Phenylthio)phenyl]-1,2-octanedione2-(O-benzoyloxime)

Catalog Number

ACM253585830-1

CAS

253585-83-0

Structure

Synonyms

HRcure-OX E01

IUPAC Name

[(E)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino]benzoate

Molecular Weight

445.57

Molecular Formula

C27H27NO3S

Canonical SMILES

CCCCCC/C(=N\OC(=O)C1=CC=CC=C1)/C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C27H27NO3S/c1-2-3-4-11-16-25(28-31-27(30)22-12-7-5-8-13-22)26(29)21-17-19-24(20-18-21)32-23-14-9-6-10-15-23/h5-10,12-15,17-20H,2-4,11,16H2,1H3/b28-25+

InChI Key

LOCXTTRLSIDGPS-AZPGRJICSA-N

Boiling Point

594.7 ± 52.0 °C

Melting Point

40 - 45 °C

Purity

95%+

Density

1.11 ± 0.1 g/ml

Appearance

Light yellow powder

Storage

2 - 8 °C

• Catalog Number: ACM253585830-1
• CAS: 253585-83-0
• Synonyms: HRcure-OX E01
• IUPAC Name: [(E)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino]benzoate
• Molecular Weight: 445.57
• Molecular Formula: C27H27NO3S
• Canonical SMILES: CCCCCC/C(=N\OC(=O)C1=CC=CC=C1)/C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3
• InChI: InChI=1S/C27H27NO3S/c1-2-3-4-11-16-25(28-31-27(30)22-12-7-5-8-13-22)26(29)21-17-19-24(20-18-21)32-23-14-9-6-10-15-23/h5-10,12-15,17-20H,2-4,11,16H2,1H3/b28-25+
• InChI Key: LOCXTTRLSIDGPS-AZPGRJICSA-N
• Boiling Point: 594.7 ± 52.0 °C
• Melting Point: 40 - 45 °C
• Purity: 95%+
• Density: 1.11 ± 0.1 g/ml
• Appearance: Light yellow powder
• Storage: 2 - 8 °C