Products 407627-58-1

CAS 407627-58-1 is the registry number for 3-(3-(5-Carboxypentyl)-2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate, 95% (HPLC). Offered by: Ambeed, BLDpharm. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg.

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

3-[(2Z)-3-(5-carboxypentyl)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-methyl-5-sulfoindol-1-yl]propane-1-sulfonate (CAS 407627-58-1) is a chemical compound with the molecular formula C36H46N2O14S4 and a molecular weight of 859.0 g/mol. IUPAC name: 3-[(2Z)-3-(5-carboxypentyl)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-methyl-5-sulfoindol-1-yl]propane-1-sulfonate. InChIKey: YZKPBELIKPDYRV-UHFFFAOYSA-N.

Identity
Molecular formulaC36H46N2O14S4
Molecular weight859.0 g/mol
IUPAC name3-[(2Z)-3-(5-carboxypentyl)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-methyl-5-sulfoindol-1-yl]propane-1-sulfonate
InChIKeyYZKPBELIKPDYRV-UHFFFAOYSA-N
SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C=C/C=C\3/C(C4=C(N3CCCS(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)O)(C)CCCCCC(=O)O)CCCS(=O)(=O)O)C

Computed by PubChem (NCBI)