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1,4-Bis((3-methyl-5-styrylisoxazole-4-ylamino)-(4-methoxyphenyl)methyl)naphthalene-2,3-diol
SpectraBase Compound ID 556oPiYZGDA
InChI InChI=1S/C50H44N4O6/c1-31-45(41(59-53-31)29-19-33-13-7-5-8-14-33)51-47(35-21-25-37(57-3)26-22-35)43-39-17-11-12-18-40(39)44(50(56)49(43)55)48(36-23-27-38(58-4)28-24-36)52-46-32(2)54-60-42(46)30-20-34-15-9-6-10-16-34/h5-30,47-48,51-52,55-56H,1-4H3/b29-19+,30-20+
InChIKey ZGECQUXRSYAOBE-CZYCKNNWSA-N
Mol Weight 796.9 g/mol
Molecular Formula C50H44N4O6
Exact Mass 796.326085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALpYx6agrRi
Name 1,4-Bis((3-methyl-5-styrylisoxazole-4-ylamino)-(4-methoxyphenyl)methyl)naphthalene-2,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H44N4O6
InChI InChI=1S/C50H44N4O6/c1-31-45(41(59-53-31)29-19-33-13-7-5-8-14-33)51-47(35-21-25-37(57-3)26-22-35)43-39-17-11-12-18-40(39)44(50(56)49(43)55)48(36-23-27-38(58-4)28-24-36)52-46-32(2)54-60-42(46)30-20-34-15-9-6-10-16-34/h5-30,47-48,51-52,55-56H,1-4H3/b29-19+,30-20+
InChIKey ZGECQUXRSYAOBE-CZYCKNNWSA-N
Molecular Weight 796.924 g/mol
SMILES N(C(c1c2c(c(c(c1O)O)C(Nc1c(onc1C)\C=C\c1ccccc1)c1ccc(cc1)OC)cccc2)c1ccc(cc1)OC)c1c(onc1C)\C=C\c1ccccc1
SPLASH splash10-0kte-0531484900-e02cd471c0ee7e3165f0
Source of Spectrum Y1-53B-416-4g
Synonyms 1,4-Bis((4-methoxyphenyl)((3-methyl-5-((E)-styryl)isoxazol-4-yl)amino)methyl)naphthalene-2,3-diol
Wiley ID 1743619