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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid

Inventory

EC number:
223-772-2
EC name:
Sulisobenzone
CAS number:
4065-45-6
CAS number:
4065-45-6
Synonyms
Names:
Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-
KI: 2-Hydroxy-4-methoxybenzophenone-5- sulfonic acid; KI: Sulisobenzone
KI: Benzophenone-4
Identifier:
IUPAC name
2-hydroxy-4-methoxy-benzophenone-5-sulfonic acid
Identifier:
IUPAC name
4-Hydroxy-2-methoxy-5-(oxo-phenylmethyl)benzenesulfonic acid
Identifier:
IUPAC name
5-benzoyl-4-hydroxy-2-methoxybenzene-1-sulfonic acid
Identifier:
other: InChl
1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
Identifier:
other: SMILES notation
1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
Identifier:
other: SMILES notation
COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O
Identifier:
other: InChl
InChI=1/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
Identifier:
other: InChl
InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
Identifier:
other: SMILES notation
c1(cc(c(cc1O)OC)S(=O)(=O)O)C(=O)c1ccccc1
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid

Molecular and structural information

Molecular formula:
C14H12O6S
Molecular weight:
308.307
SMILES notation:
COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c2ccccc2
InChl:
1/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
Structural formula:
Chemical structure

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