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Xylene Cyanol FF Extrapure Redox Indicator

CAT: 1507-285200025Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1507-285200025Size:25 mg
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CAS Number
2650-17-1
HSN Code
32041979

Chemical Information

1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:1)

See also: Xylene cyanol (annotation moved to) ... View More ...

CAS Number2650-17-1
PubChem CID44135495
IUPAC Namesodium 4-[[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfobenzenesulfonate
Molecular FormulaC25H27N2NaO6S2
Molecular Weight538.6
Topological Polar Surface Area153
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity1120
SMILES
CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)O)C.[Na+]
InChI
InChI=1S/C25H28N2O6S2.Na/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(34(28,29)30)15-24(21)35(31,32)33;/h7-15,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1
InChIKey
VVLFAAMTGMGYBS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:1)
CAS: 2650-17-1
CID: 44135495
Formula: C25H27N2NaO6S2
MW: 538.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight538.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass538.12082321
Monoisotopic Mass538.12082321
Topological Polar Surface Area153 Ų
Heavy Atom Count36
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes