| SpectraBase Spectrum ID |
3Fha2kVHvbl |
| Name |
2-(Benzhydrylidene-amino)-3-(toluene-4-sulfonylmethyl)-pentanedioic acid 5-ethyl ester 1-methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
521.187208890 u |
| Formula |
C29H31NO6S |
| InChI |
InChI=1S/C29H31NO6S/c1-4-36-26(31)19-24(20-37(33,34)25-17-15-21(2)16-18-25)28(29(32)35-3)30-27(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,24,28H,4,19-20H2,1-3H3 |
| InChIKey |
FMJDGLMWEPBZLH-UHFFFAOYSA-N |
| Molecular Weight |
521.628 g/mol |
| SMILES |
C(S(C1=CC=C(C=C1)C)(=O)=O)C(C(N=C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC)CC(=O)OCC |
