Benzoic acid,4,4'-[6,11-bis(4-carboxy-2,3-dihydroxybenzoyl)-1,16-dioxo-2,6,11,15-tetraazahexadecane-1,16-diyl]bis[2,3-dihydroxy-,tetrasodium salt (9CI)

Modify Date: 2025-11-25 22:09:02

Benzoic acid,4,4'-[6,11-bis(4-carboxy-2,3-dihydroxybenzoyl)-1,16-dioxo-2,6,11,15-tetraazahexadecane-1,16-diyl]bis[2,3-dihydroxy-,tetrasodium salt (9CI) structure	Common Name	Benzoic acid,4,4'-[6,11-bis(4-carboxy-2,3-dihydroxybenzoyl)-1,16-dioxo-2,6,11,15-tetraazahexadecane-1,16-diyl]bis[2,3-dihydroxy-,tetrasodium salt (9CI)
	CAS Number	91776-07-7	Molecular Weight	945.78700
	Density	1.627g/cm3	Boiling Point	1233.8ºC at 760mmHg
	Molecular Formula	C₄₂H₄₂N₄NaO₂₀+	Melting Point	N/A
	MSDS	N/A	Flash Point	700ºC

Name	sodium,4-[3-[(4-carboxy-2,3-dihydroxybenzoyl)-[4-[(4-carboxy-2,3-dihydroxybenzoyl)-[3-[(4-carboxy-2,3-dihydroxybenzoyl)amino]propyl]amino]butyl]amino]propylcarbamoyl]-2,3-dihydroxybenzoic acid

Density	1.627g/cm3
Boiling Point	1233.8ºC at 760mmHg
Molecular Formula	C₄₂H₄₂N₄NaO₂₀+
Molecular Weight	945.78700
Flash Point	700ºC
Exact Mass	945.22900
PSA	409.86000
LogP	2.91100
Index of Refraction	1.721
InChIKey	YWYXTBJYSNLEMU-UHFFFAOYSA-N
SMILES	O=C(O)c1ccc(C(=O)NCCCN(CCCCN(CCCNC(=O)c2ccc(C(=O)O)c(O)c2O)C(=O)c2ccc(C(=O)O)c(O)c2O)C(=O)c2ccc(C(=O)O)c(O)c2O)c(O)c1O.[Na+]

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