Compound C23H18O9S

5-[3-(3-carboxy-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzoic acid

CAS: 2588-24-1

Molecular Formula	`C23H18O9S`
Molecular Weight	470.4 g/mol
LogP	3.9
Topological Polar Surface Area	167.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	470.06714
Heavy Atoms	33
Complexity	839.0

Chemical Identifiers

CAS Number	2588-24-1
SMILES	`CC1=CC(=CC(=C1O)C(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)C(=O)O`
InChIKey	`LGKSNCHFKPHIJM-UHFFFAOYSA-N`

📖 Product Overview

Compound C23H18O9S (CAS: 2588-24-1) is a chemical compound with molecular formula C23H18O9S and molecular weight 470.4 g/mol. Its IUPAC systematic name is 5-[3-(3-carboxy-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzoic acid. LogP 3.9 Topological Polar Surface Area 167.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 4 Exact Mass 470.06714 Heavy Atoms 33 Complexity 839.0 InChI Key: LGKSNCHFKPHIJM-UHFFFAOYSA-N. SMILES: CC1=CC(=CC(=C1O)C(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)C(=O)O.

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