sodium 4-hydroxy-5-{[(2-hydroxyphenyl)methylidene]amino}-7-sulfonaphthalene-2-sulfonate hydrate

sodium 4-hydroxy-5-{[(2-hydroxyphenyl)methylidene]amino}-7-sulfonaphthalene-2-sulfonate hydrate

CAS: 206752-32-1

Formula: C17H14NNaO9S2

SMILES: O.[Na+].OC1=CC=CC=C1C=NC1=CC(=CC2=CC(=CC(O)=C12)S([O-])(=O)=O)S(O)(=O)=O

IUPAC: sodium 4-hydroxy-5-{[(2-hydroxyphenyl)methylidene]amino}-7-sulfonaphthalene-2-sulfonate hydrate

InChI: InChI=1S/C17H13NO8S2.Na.H2O/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14;;/h1-9,19-20H,(H,21,22,23)(H,24,25,26);;1H2/q;+1;/p-1

Composition: C (44.06%), H (3.05%), N (3.02%), Na (4.96%), O (31.07%), S (13.84%)

Molar Mass: 463.41

Atom Count: 44

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	463.00076766
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
InChIKey	AAIGDXDVSZJVSW-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	101.92
Topological Polar Surface Area	164.39
Polarizability	40.35
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	206752-32-1		$35.31-$254.72$35.31$54.22$90.79$254.72