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4-(([3-((3-[2-(Octadecyloxy)phenyl]-3-oxopropanoyl)amino)phenyl]sulfonyl)amino)benzoic acid
SpectraBase Compound ID 8YwxtmxV0ov
InChI InChI=1S/C40H54N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-49-38-24-18-17-23-36(38)37(43)31-39(44)41-34-21-20-22-35(30-34)50(47,48)42-33-27-25-32(26-28-33)40(45)46/h17-18,20-28,30,42H,2-16,19,29,31H2,1H3,(H,41,44)(H,45,46)
InChIKey RZKRRPNSZGSDHP-UHFFFAOYSA-N
Mol Weight 706.9 g/mol
Molecular Formula C40H54N2O7S
Exact Mass 706.365173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0K9fO2jpa8
Name 4-(([3-((3-[2-(Octadecyloxy)phenyl]-3-oxopropanoyl)amino)phenyl]sulfonyl)amino)benzoic acid
CAS Registry Number 16371-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54N2O7S
InChI InChI=1S/C40H54N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-49-38-24-18-17-23-36(38)37(43)31-39(44)41-34-21-20-22-35(30-34)50(47,48)42-33-27-25-32(26-28-33)40(45)46/h17-18,20-28,30,42H,2-16,19,29,31H2,1H3,(H,41,44)(H,45,46)
InChIKey RZKRRPNSZGSDHP-UHFFFAOYSA-N
Molecular Weight 706.939 g/mol
SMILES OC(c1ccc(cc1)NS(c1cc(ccc1)NC(=O)CC(=O)c1c(cccc1)OCCCCCCCCCCCCCCCCCC)(=O)=O)=O
SPLASH splash10-0006-9400000000-a0578f14ce4a243cbd89
Synonyms 4-[[3-[[3-(2-octadecoxyphenyl)-1,3-dioxopropyl]amino]phenyl]sulfonylamino]benzoic acid 4-[[3-[[3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]sulfonylamino]benzoic acid 4-[[3-[[3-(2-octadecoxyphenyl)-3-oxo-propanoyl]amino]phenyl]sulfonylamino]benzoic acid 4-[[3-[[3-keto-3-(2-stearyloxyphenyl)propanoyl]amino]phenyl]sulfonylamino]benzoic acid
Wiley ID 1468359