5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL] AMINO]PHENOXY]ISOPHTHALIC ACID
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![5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL] AMINO]PHENOXY]ISOPHTHALIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3f8874bdae994e6d8b7cb8713e2af87d.png "5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL] AMINO]PHENOXY]ISOPHTHALIC ACID")
5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL] AMINO]PHENOXY]ISOPHTHALIC ACID
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CAS No:
17725-27-8
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Formula:
C42H52N2O10
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Chemical Name:
5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL] AMINO]PHENOXY]ISOPHTHALIC ACID
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Synonyms:
LABOTEST-BB LT00452242;4-OCTADECANAMIDO-BENZOYLACETIC ACID-[2-(3,5-DICARBOXY-PHENOXY)-5-CARBOXY]-ANILIDE;5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL] AMINO]PHENOXY]ISOPHTHALIC ACID;5-(carboxy-dioxo-oxooctadecylaminophenyl-propylam;5-[4-Carboxy-2-[[1,3-dioxo-3-[4-[(1-oxooctadecyl)amino]phenyl]propyl]amino]phenoxy]isophthalic acid;5-(CARBOXY-DIOXO-OXOOCTADECYLAMINOPHENYL -PROPYLAMINOPHENOXY)ISOPHTHALIC ACID95%;carboxydioxooxooctadecylaminophenylpropylaminophenoxy iso;5-[4-Carboxy-2-[[1,3-dioxo-3-[4-[(1-oxooctadecyl)-amino]phepropyl]amino]phenoxy]isophthalic acid
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CAS No:
5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL] AMINO]PHENOXY]ISOPHTHALIC ACID Basic Attributes
744.87
744.36200
2924299090
Safety Information
3
36/37/38
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:744.9
XLogP3:10.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:26
Exact Mass:744.36219586
Monoisotopic Mass:744.36219586
Topological Polar Surface Area:196
Heavy Atom Count:54
Complexity:1160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-[4-CARBOXY-2-[[1,3-DIOXO-3-[4-[(1-OXOOCTADECYL)-AMINO]PHENYL]PROPYL] AMINO]PHENOXY]ISOPHTHALIC ACID
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