Cy2 Carboxylic acids

Catalog Number

ACM260430022-1

CAS

260430-02-2

Structure

Synonyms

6-[2-[(E,3E)-3-(3-ethyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]hexanoate

IUPAC Name

6-[2-[(E,3Z)-3-(3-ethyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]hexanoate

Molecular Weight

546.41

Molecular Formula

C25H27IN2O4

Canonical SMILES

CCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCC(=O)[O-]

InChI

InChI=1S/C25H26N2O4/c1-2-26-19-11-5-7-13-21(19)30-23(26)15-10-16-24-27(18-9-3-4-17-25(28)29)20-12-6-8-14-22(20)31-24/h5-8,10-16H,2-4,9,17-18H2,1H3

InChI Key

WORLWSFCGZCFSW-UHFFFAOYSA-N

Purity

95%+

Appearance

Solid powder

Storage

-20 °C and dry

• Catalog Number: ACM260430022-1
• CAS: 260430-02-2
• Synonyms: 6-[2-[(E,3E)-3-(3-ethyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]hexanoate
• IUPAC Name: 6-[2-[(E,3Z)-3-(3-ethyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]hexanoate
• Molecular Weight: 546.41
• Molecular Formula: C25H27IN2O4
• Canonical SMILES: CCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCC(=O)[O-]
• InChI: InChI=1S/C25H26N2O4/c1-2-26-19-11-5-7-13-21(19)30-23(26)15-10-16-24-27(18-9-3-4-17-25(28)29)20-12-6-8-14-22(20)31-24/h5-8,10-16H,2-4,9,17-18H2,1H3
• InChI Key: WORLWSFCGZCFSW-UHFFFAOYSA-N
• Purity: 95%+
• Appearance: Solid powder
• Storage: -20 °C and dry