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Reference substances

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General information

Inventory

EC number:
248-421-0
EC name:
Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulphonate)
CAS number:
27344-41-8

No inventory information available

Reference substance information

IUPAC name:
Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulphonate
Synonyms
Names:
Identifier:
IUPAC name
2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulphonic) acid
Identifier:
common name
Tinopal CBS-X
Identifier:
other: InChl
1S/C28H22O6S2.2Na/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34;;/h1-20H,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b19-13-,20-14-;;
Identifier:
other: SMILES notation
c1(c2ccc(\C=C/c3c(cccc3)S(=O)(=O)[O-])cc2)ccc(\C=C/c2c(cccc2)S(=O)(=O)[O-])cc1.[Na+].[Na+]

CAS information

CAS number:
27344-41-8

Molecular and structural information

Molecular formula:
C28H22O6S2.2Na
Molecular weight:
562.572
SMILES notation:
S(c1c(\C=C/c2ccc(c3ccc(\C=C/c4c(cccc4)S(O)(=O)=O)cc3)cc2)cccc1)(=O)(=O)O
InChl:
1S/C28H22O6S2/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34/h1-20H,(H,29,30,31)(H,32,33,34)
Structural formula:
Chemical structure