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Structure

Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate

CAS
97337-94-5
Catalog Number
ACM97337945
Category
Other Products
Molecular Weight
1002.578400 [g/mol]
Molecular Formula
C60H111NO6.C2H4O2

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Specification

Synonyms
EINECS 306-588-8, 97337-94-5, Tris(2-(octadec-9-enoyloxy)ethyl)ammonium acetate
IUPAC Name
acetic acid;2-[bis[2-[(E)-octadec-9-enoyl]oxyethyl]amino]ethyl (E)-octadec-9-enoate
Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCC=CCCCCCCCC)CCOC(=O)CCCCCCCC=CCCCCCCCC.CC(=O)O
InChI Key
DJCHKVHHWCAHEH-ONUIFWESSA-N
EC Number
306-588-8
H-Bond Acceptor
9
H-Bond Donor
1
What is the molecular formula of Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate?

The molecular formula is C62H115NO8.

What is the molecular weight of Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate?

The molecular weight is 1002.6 g/mol.

When was Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate created in PubChem?

It was created on August 20, 2009.

What is the IUPAC name of Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate?

The IUPAC name is acetic acid;2-[bis[2-[(E)-octadec-9-enoyl]oxyethyl]amino]ethyl (E)-octadec-9-enoate.

What is the InChI representation of Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate?

The InChI is InChI=1S/C60H111NO6.C2H4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(62)65-55-52-61(53-56-66-59(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-2(3)4/h25-30H,4-24,31-57H2,1-3H3;1H3,(H,3,4)/b28-25+,29-26+,30-27+;.

What is the CAS number of Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate?

The CAS number is 97337-94-5.

How many hydrogen bond donor counts does Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate have?

It has 1 hydrogen bond donor count.

What is the exact mass of Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate?

The exact mass is 1001.86226963 g/mol.

How many rotatable bond counts does Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate have?

It has 57 rotatable bond counts.

How many defined bond stereocenter counts does Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate have?

It has 3 defined bond stereocenter counts.

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