calcium,3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate

Modify Date: 2025-08-25 12:28:13

calcium,3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate structure	Common Name	calcium,3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate
	CAS Number	61315-98-8	Molecular Weight	890.93700
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₈H₄₂CaO₁₈S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	calcium,3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate

Molecular Formula	C₃₈H₄₂CaO₁₈S₂
Molecular Weight	890.93700
Exact Mass	890.14400
PSA	323.60000
LogP	7.60640
InChIKey	QYQCMZDVUBLTNS-UHFFFAOYSA-L
SMILES	COc1ccc(CCC(=O)c2c(O)cc(OCCCS(=O)(=O)[O-])cc2O)cc1O.COc1ccc(CCC(=O)c2c(O)cc(OCCCS(=O)(=O)[O-])cc2O)cc1O.[Ca+2]

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