TAMR Aalkyne,5-isomer

Catalog Number

ACM945928176-1

CAS

945928-17-6

IUPAC Name

2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-(prop-2-ynylcarbamoyl)benzoate

Molecular Weight

467.5

Molecular Formula

C28H25N3O4

Canonical SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCC#C)C(=O)[O-]

InChI

InChI=1S/C28H25N3O4/c1-6-13-29-27(32)17-7-10-20(23(14-17)28(33)34)26-21-11-8-18(30(2)3)15-24(21)35-25-16-19(31(4)5)9-12-22(25)26/h1,7-12,14-16H,13H2,2-5H3,(H-,29,32,33,34)

InChI Key

DYDBZMFMNBGTIP-UHFFFAOYSA-N

Purity

0.95

Storage

-20 °C in the dark

• Catalog Number: ACM945928176-1
• CAS: 945928-17-6
• IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-(prop-2-ynylcarbamoyl)benzoate
• Molecular Weight: 467.5
• Molecular Formula: C28H25N3O4
• Canonical SMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCC#C)C(=O)[O-]
• InChI: InChI=1S/C28H25N3O4/c1-6-13-29-27(32)17-7-10-20(23(14-17)28(33)34)26-21-11-8-18(30(2)3)15-24(21)35-25-16-19(31(4)5)9-12-22(25)26/h1,7-12,14-16H,13H2,2-5H3,(H-,29,32,33,34)
• InChI Key: DYDBZMFMNBGTIP-UHFFFAOYSA-N
• Purity: 0.95
• Storage: -20 °C in the dark