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Reference substances

Reference substances

Currently viewing:
IUPAC name:
1,4-diethyl 2-{[4-({4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]cyclohexyl}methyl)cyclohexyl]amino}butanedioate

Inventory

EC number:
429-270-1
EC name:
-
CAS number:
-
Description:
DESMOPHEN PAC XP 7053; DESMOPHEN VP LS 2109 (90%IG IN BUTYLACETAT)
CAS number:
136210-30-5
Synonyms
Names:
Desmophen PAC XP 7053
Desmophen VP LS 2109
Desmophen VP LS 2109 Desmophen PAC XP 7053 ZWI 578
ZWI 578
Identifier:
CAS number
136210-30-5
Identifier:
IUPAC name
1,4-diethyl 2-{[4-({4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]cyclohexyl}methyl)cyclohexyl]amino}butandioate
Identifier:
IUPAC name
1,4-diethyl 2-{[4-({4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]cyclohexyl}methyl)cyclohexyl]amino}butanedioate
Identifier:
other: Molecular formula
C29-H50-N2-O8
Identifier:
other: Molecular formula
C29H50N2O8
Identifier:
other: Molecular formula
C29H50N2O8
Identifier:
other: SMILES notation
CCOC(=O)CC(C(=O)OCC)NC1CCCC(CC1)CC2CCC(CC2)NC(C(=O)OCC)CC(=O)OCC
Identifier:
other: SMILES notation
CCOC(=O)CC(NC1CCC(CC2CCC(CC2)NC(CC(=O)OCC)C(=O)OCC)CC1)C(=O)OCC
tetraethyl N,N'-(methylenedicyclohexane-4,1-diyl)bis-DL-aspartate

Molecular and structural information

Molecular formula:
C29H50N2O8
Molecular weight:
554.72
SMILES notation:
CCOC(=O)CC(C(=O)OCC)NC1CCC(CC1)CC2CCC(CC2)NC(C(=O)OCC)CC(=O)OCC
InChl:
1S/C29H50N2O8/c1-5-36-26(32)18-24(28(34)38-7-3)30-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)31-25(29(35)39-8-4)19-27(33)37-6-2/h20-25,30-31H,5-19H2,1-4H3/t20?,21?,22?,23?,24-,25-/m0/s1
Structural formula:
Chemical structure

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