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Details

Stereochemistry ACHIRAL
Molecular Formula C18H24O6S2
Molecular Weight 400.51
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7-Di-tert-butylnaphthalene-1,5-disulfonic acid

SMILES

CC(C)(C)C1=CC(=C2C=C(C=C(C2=C1)S(O)(=O)=O)C(C)(C)C)S(O)(=O)=O

InChI

InChIKey=UAVWWXVXXQGHGA-UHFFFAOYSA-N
InChI=1S/C18H24O6S2/c1-17(2,3)11-7-13-14(15(9-11)25(19,20)21)8-12(18(4,5)6)10-16(13)26(22,23)24/h7-10H,1-6H3,(H,19,20,21)(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C18H24O6S2
Molecular Weight 400.51
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:33:35 GMT 2023
Edited
by admin
on Sat Dec 16 12:33:35 GMT 2023
Record UNII
KGV3GUQ2LL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,7-Di-tert-butylnaphthalene-1,5-disulfonic acid
Systematic Name English
1,5-Naphthalenedisulfonic acid, 3,7-bis(1,1-dimethylethyl)-
Systematic Name English
3,7-Bis(1,1-dimethylethyl)-1,5-naphthalenedisulfonic acid
Common Name English
3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid
Systematic Name English
Code System Code Type Description
CAS
47486-75-9
Created by admin on Sat Dec 16 12:33:35 GMT 2023 , Edited by admin on Sat Dec 16 12:33:35 GMT 2023
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FDA UNII
KGV3GUQ2LL
Created by admin on Sat Dec 16 12:33:35 GMT 2023 , Edited by admin on Sat Dec 16 12:33:35 GMT 2023
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PUBCHEM
3016463
Created by admin on Sat Dec 16 12:33:35 GMT 2023 , Edited by admin on Sat Dec 16 12:33:35 GMT 2023
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ECHA (EC/EINECS)
256-319-2
Created by admin on Sat Dec 16 12:33:35 GMT 2023 , Edited by admin on Sat Dec 16 12:33:35 GMT 2023
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EPA CompTox
DTXSID50197156
Created by admin on Sat Dec 16 12:33:35 GMT 2023 , Edited by admin on Sat Dec 16 12:33:35 GMT 2023
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