Coumarin 545

Catalog Number

ACM85642111-1

CAS

85642-11-1

Synonyms

5-(1,3-benzothiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

IUPAC Name

5-(1,3-benzothiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

Molecular Weight

374.46

Molecular Formula

C22H18N2O2S

Canonical SMILES

C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1

InChI

InChI=1S/C22H18N2O2S/c25-22-16(21-23-17-7-1-2-8-18(17)27-21)12-14-11-13-5-3-9-24-10-4-6-15(19(13)24)20(14)26-22/h1-2,7-8,11-12H,3-6,9-10H2

InChI Key

WYZWJLZUSHFFOR-UHFFFAOYSA-N

Melting Point

254 °C

Purity

≥97%

Appearance

Powder or solid

Storage

-20 °C in the dark

• Catalog Number: ACM85642111-1
• CAS: 85642-11-1
• Synonyms: 5-(1,3-benzothiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
• IUPAC Name: 5-(1,3-benzothiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
• Molecular Weight: 374.46
• Molecular Formula: C22H18N2O2S
• Canonical SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1
• InChI: InChI=1S/C22H18N2O2S/c25-22-16(21-23-17-7-1-2-8-18(17)27-21)12-14-11-13-5-3-9-24-10-4-6-15(19(13)24)20(14)26-22/h1-2,7-8,11-12H,3-6,9-10H2
• InChI Key: WYZWJLZUSHFFOR-UHFFFAOYSA-N
• Melting Point: 254 °C
• Purity: ≥97%
• Appearance: Powder or solid
• Storage: -20 °C in the dark