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Reference substances

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General information

Inventory

EC number:
228-845-2
EC name:
Sodium hydrogen-5-sulphoisophthalate
CAS number:
6362-79-4

No inventory information available

Reference substance information

IUPAC name:
Sodium 3,5-dicarboxybenzenesulfonate
Synonyms
Names:
5-(sodiosulfo)isophthalic Acid
1,3-Benzenedicarboxylic acid, 5-sulfo-, monosodium salt
Monosodium 5-sulfoisophthalate 3,5-Dicarboxybenzenesulfonic acid, sodium salt sodium 3-carboxy-5-sulfobenzoate Sodium hydrogen-5-sulphoisophthalate 1,3-Benzenedicarboxylic acid, 5-sulfo-, monosodium salt
Identifier:
CAS number
6362-79-4
Identifier:
IUPAC name
sodium 3,5-dicarboxybenzenesulfonate
Identifier:
other: SMILES notation
C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O.[Na+]
Identifier:
other: InChl
InChI=1/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1
Identifier:
other: InChl
InChI=1S/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1

CAS information

CAS number:
6362-79-4

Molecular and structural information

Molecular formula:
C8H6O7S.Na
Molecular weight:
ca. 268.17
SMILES notation:
[Na+].OC(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)O
InChl:
1/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1
Structural formula:
Chemical structure