SpectraBase Compound ID | DZ1eGtAuL45 |
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InChI | InChI=1S/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-25H,2-15,19,22,26H2,1H3,(H,34,35,37)(H,39,40,41) |
InChIKey | UYEZDWWGFYJUOF-UHFFFAOYSA-N |
Mol Weight | 613.8 g/mol |
Molecular Formula | C33H47N3O6S |
Exact Mass | 613.318557 g/mol |
SpectraBase Spectrum ID | 7vCsC5Zh7by |
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Name | 5-[4,5-Dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid |
Source of Sample | Aldrich |
Catalog Number | 394068 |
CAS Registry Number | 25985-53-9 |
Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C33H47N3O6S |
InChI | InChI=1S/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-25H,2-15,19,22,26H2,1H3,(H,34,35,37)(H,39,40,41) |
InChIKey | UYEZDWWGFYJUOF-UHFFFAOYSA-N |
Purity | 97% |
Synonyms | 5-[3-(octadecanoylamino)-5-oxo(2-pyrazolinyl)]-2-phenoxybenzenesulfonic acid |
Wiley ID | SIAL_ATR-IR_018381 |