2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzenesulfonic acid

2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzenesulfonic acid

CAS: 32638-88-3

Formula: C19H12O8S

SMILES: OC1=CC=C2C(OC3=C(O)C(=O)C=CC3=C2C2=C(C=CC=C2)S(O)(=O)=O)=C1O

IUPAC: 2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzene-1-sulfonic acid

InChI: InChI=1S/C19H12O8S/c20-12-7-5-10-15(9-3-1-2-4-14(9)28(24,25)26)11-6-8-13(21)17(23)19(11)27-18(10)16(12)22/h1-8,20,22-23H,(H,24,25,26)

Composition: C (57.00%), H (3.02%), O (31.97%), S (8.01%)

Molar Mass: 400.36

Atom Count: 40

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	400.02528852
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
InChIKey	JTZKNOUMMWIARI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.73
Topological Polar Surface Area	141.36
Polarizability	37.9
Ring Count	4
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	32638-88-3		$42.08-$141.19$42.08$141.19