CAS
94006-07-2 Purity
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94006-07-2 Purity
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(8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride
CAS
94006-10-7
Catalog Number
ACM94006107
Category
Other Products
Molecular Weight
491.000641 [g/mol]
Molecular Formula
C30H32ClO2P
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Specification
Synonyms
EINECS 301-346-8, CID6366357, (8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride, 94006-10-7
IUPAC Name
[(2E,4E,6E)-8-ethoxy-3,7-dimethyl-8-oxoocta-2,4,6-trienyl]-triphenylphosphanium chloride
SMILES
CCOC(=O)C(=CC=CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C)C.[Cl-]
InChI Key
GIUZTRKQAAYLIO-AGMPIRNJSA-M
EC Number
301-346-8
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of (8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride?
The molecular formula is C30H32ClO2P.
What is the molecular weight of (8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride?
The molecular weight is 491.0 g/mol.
What is the IUPAC name of (8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride?
The IUPAC name is [(2E,4E,6E)-8-ethoxy-3,7-dimethyl-8-oxoocta-2,4,6-trienyl]-triphenylphosphanium; chloride.
What is the InChI of (8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride?
The InChI is InChI=1S/C30H32O2P.ClH/c1-4-32-30(31)26(3)16-14-15-25(2)23-24-33(27-17-8-5-9-18-27,28-19-10-6-11-20-28)29-21-12-7-13-22-29;/h5-23H,4,24H2,1-3H3;1H/q+1;/p-1/b15-14+,25-23+,26-16+.
What is the InChIKey of (8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride?
The InChIKey is GIUZTRKQAAYLIO-AGMPIRNJSA-M.
What is the canonical SMILES of (8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride?
The canonical SMILES is CCOC(=O)C(=CC=CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C)C.[Cl-].
What is the isomeric SMILES of (8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride?
The isomeric SMILES is CCOC(=O)/C(=C/C=C/C(=C/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C)/C.[Cl-].
What is the CAS number of (8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride?
The CAS number is 94006-10-7.
What is the European Community (EC) number of (8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride?
The European Community (EC) number is 301-346-8.
What is the hydrogen bond donor count of (8-Ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride?
The hydrogen bond donor count is 0.
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