Products 811785-95-2

CAS 811785-95-2 is the registry number for 1-(5-Carboxypentyl)-4-[8,9-dihydro-6,8,8-trimethyl-2-oxo-9-(3-sulfopropyl)-2H-pyrano[3,2-g]quinolin-3-yl]pyridinium inner salt, 95%, 95%. Offered by: Chemat. Available pack sizes: 100mg, 250mg.

Structural formula: {0} (CAS {1})

6-[4-[6,8,8-trimethyl-2-oxo-9-(3-sulfopropyl)pyrano[3,2-g]quinolin-3-yl]pyridin-1-ium-1-yl]hexanoate (CAS 811785-95-2) is a chemical compound with the molecular formula C29H34N2O7S and a molecular weight of 554.7 g/mol. IUPAC name: 6-[4-[6,8,8-trimethyl-2-oxo-9-(3-sulfopropyl)pyrano[3,2-g]quinolin-3-yl]pyridin-1-ium-1-yl]hexanoate. InChIKey: MIZHMXCDWVAYJQ-UHFFFAOYSA-N.

Identity
Molecular formulaC29H34N2O7S
Molecular weight554.7 g/mol
IUPAC name6-[4-[6,8,8-trimethyl-2-oxo-9-(3-sulfopropyl)pyrano[3,2-g]quinolin-3-yl]pyridin-1-ium-1-yl]hexanoate
InChIKeyMIZHMXCDWVAYJQ-UHFFFAOYSA-N
SMILESCC1=CC(N(C2=C1C=C3C=C(C(=O)OC3=C2)C4=CC=[N+](C=C4)CCCCCC(=O)[O-])CCCS(=O)(=O)O)(C)C

Computed by PubChem (NCBI)