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Reference substances

Reference substances

Currently viewing:
IUPAC name:
Benzenesulfonic acid, mono-C11-13-branched alkyl derivs., calcium salts

Inventory

EC number:
273-234-6
EC name:
Benzenesulfonic acid, mono-C11-13-branched alkyl derivs., calcium salts
CAS number:
68953-96-8
Description:
This substance is identified by SDA Substance Name: C11-C13 branched alkyl benzene sulfonic acid calcium salt and SDA Reporting Number: 25-097-06.
CAS number:
68953-96-8
Synonyms
Names:
Benzenesulfonic acid, mono-C11-13-branched alkyl derivs., calcium salts
Identifier:
CAS number
68953-96-8
Identifier:
EC number
273-234-6
Identifier:
IUPAC name
Calcium bis[4-(7-ethylnonyl)benzenesulfonate]
Identifier:
IUPAC name
calcium bis[4-(7-ethylnonyl)benzenesulfonate]
Identifier:
other: Molecular formula
[CnH2n-1C6H4SO3]2Ca with n=11-13, branched
Identifier:
other: Molecular formula
C34H54O5S2
Identifier:
other: Molecular formula
C36H58O6S2Ca

Molecular and structural information

Molecular formula:
[CnH2n-1C6H4SO3]2Ca with n=11-13, branched
Molecular weight:
>= 663 - <= 719
SMILES notation:
[Ca+2].CCC(CC)CCCCCCc1ccc(cc1)S(=O)(=O)[O-].CCC(CC)CCCCCCc2ccc(cc2)S(=O)(=O)[O-]
InChl:
InChI=1/2C17H28O3S.Ca/c2*1-3-15(4-2)9-7-5-6-8-10-16-11-13-17(14-12-16)21(18,19)20;/h2*11-15H,3-10H2,1-2H3,(H,18,19,20);/q;;+2/p-2
Structural formula:
Chemical structure

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