SpectraBase Spectrum ID |
8PCikXefYAQ |
Name |
2-[2-[3-(2,3-dihydroxypropylsulfanyl)-5-nitro-anilino]-2-oxo-ethoxy]acetic acid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C13H16N2O8S |
InChI |
InChI=1S/C13H16N2O8S/c16-4-10(17)7-24-11-2-8(1-9(3-11)15(21)22)14-12(18)5-23-6-13(19)20/h1-3,10,16-17H,4-7H2,(H,14,18)(H,19,20) |
InChIKey |
XTICOGVEBSWWSP-UHFFFAOYSA-N |
Molecular Weight |
360.337 g/mol |
SMILES |
OCC(CSc1cc(N(=O)=O)cc(NC(COCC(=O)O)=O)c1)O |
SPLASH |
splash10-00di-2910000000-d293029b309c535db567 |
Synonyms |
2-[2-[3-(2,3-dihydroxypropylthio)-5-nitroanilino]-2-oxoethoxy]acetic acid
2-[2-[3-(glycerylthio)-5-nitro-anilino]-2-keto-ethoxy]acetic acid
2-[2-[[3-[2,3-bis(oxidanyl)propylsulfanyl]-5-nitro-phenyl]amino]-2-oxidanylidene-ethoxy]ethanoic acid |
Wiley ID |
1452507 |