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Reference substances

Reference substances

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General information

Inventory

EC number:
201-067-0
EC name:
Tributyl O-acetylcitrate
CAS number:
77-90-7

No inventory information available

Reference substance information

IUPAC name:
1,2,3-tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate
Synonyms
Names:
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
tributyl 2-acetoxypropane-1,2,3-tricarboxylate
Identifier:
CAS number
77-90-7
Identifier:
IUPAC name
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
Identifier:
IUPAC name
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
Identifier:
IUPAC name
1,2,3-tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate
Identifier:
other: SMILES notation
C(CC(OCCCC)=O)(CC(OCCCC)=O)(C(OCCCC)=O)OC(C)=O Download
Identifier:
other: InChl
InChI InChI=1/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
tributyl 2-acetoxypropane-1,2,3-tricarboxylate

CAS information

CAS number:
77-90-7

Molecular and structural information

Molecular formula:
C20H34O8
Molecular weight:
402.479
SMILES notation:
CCCCOC(=O)CC(CC(=O)OCCCC)(OC(=O)C)C(=O)OCCCC
InChl:
InChI=1/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
Structural formula:
Chemical structure