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2-({4-[(4-ethylbenzene)sulfonamido]-1-hydroxynaphthalen-2-yl}sulfanyl)propanoic acid
SpectraBase Compound ID EtrxMBrhbeE
InChI InChI=1S/C21H21NO5S2/c1-3-14-8-10-15(11-9-14)29(26,27)22-18-12-19(28-13(2)21(24)25)20(23)17-7-5-4-6-16(17)18/h4-13,22-23H,3H2,1-2H3,(H,24,25)
InChIKey SSNVKVNCGLUBFR-UHFFFAOYSA-N
Mol Weight 431.52 g/mol
Molecular Formula C21H21NO5S2
Exact Mass 431.086115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QhdlVOVOre
Name 2-({4-[(4-ethylbenzene)sulfonamido]-1-hydroxynaphthalen-2-yl}sulfanyl)propanoic acid
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Formula C21H21NO5S2
InChI InChI=1S/C21H21NO5S2/c1-3-14-8-10-15(11-9-14)29(26,27)22-18-12-19(28-13(2)21(24)25)20(23)17-7-5-4-6-16(17)18/h4-13,22-23H,3H2,1-2H3,(H,24,25)
InChIKey SSNVKVNCGLUBFR-UHFFFAOYSA-N
Molecular Weight 431.521 g/mol
SMILES N(S(c1ccc(cc1)CC)(=O)=O)c1c2c(c(c(c1)SC(C(=O)O)C)O)cccc2
SPLASH splash10-014i-3970000000-3962cbde71bd6a556012
Source of Spectrum IY-2-4987-0
Synonyms Propanoic acid, 2-[[4-[[(4-ethylphenyl)sulfonyl]amino]-1-hydroxy-2-naphthalenyl]thio]- 2-[[4-[(4-ethylphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoic acid 2-[4-[(4-ethylphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoic acid 2-[[4-[(4-ethylphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoic acid 2-[4-[(4-ethylphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid
Wiley ID 1657853