CAS 112269-92-8 4-Sulfocalix[4]arene, Hydrate

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Macrocycles

4-Sulfocalix[4]arene, Hydrate

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Catalog Number

ACM112269928-1

Product Name

4-Sulfocalix[4]arene, Hydrate

Structure

CAS

112269-92-8

Category

Macrocycles

IUPAC Name

25,26,27,28-tetrahydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonic acid

Molecular Weight

744.7g/mol

Molecular Formula

C28H24O16S4

Canonical SMILES

C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=CC(=C5)S(=O)(=O)O)O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H24O16S4/c29-25-13-1-14-6-22(46(36,37)38)8-16(26(14)30)3-18-10-24(48(42,43)44)12-20(28(18)32)4-19-11-23(47(39,40)41)9-17(27(19)31)2-15(25)7-21(5-13)45(33,34)35/h5-12,29-32H,1-4H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)

InChI Key

JFYBCAFLVNKHHG-UHFFFAOYSA-N

Complexity

1310

Covalently-Bonded Unit Count

Exact Mass

743.994719g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

4-sulfocalix(4)arene;p-sulfonated calix(4)arene;p-sulfonatocalix(4)arene;SC4A cpd

Monoisotopic Mass