Basic information
- CAS
121-94-8- Standard SMILES
CCOC(=O)CC(=NNc1ccc(S(=O)(=O)O)cc1)C(=O)OCC- InChIKey
XNVPROHJLYURRG-UHFFFAOYSA-N- Molecular formula
- C14H18N2O7S
- Average molar mass
- 358.37 g/mol
- Monoisotopic mass
- 358.08347209
Overview
See also: 1,4-Diethyl 2-((4-sulphophenyl)hydrazono)succinate (annotation moved to).
Names & identifiers
- Preferred name
- Butanedioic acid, [(4-sulfophenyl)hydrazono]-, 1,4-diethyl ester
- IUPAC
- 4-[2-(1,4-diethoxy-1,4-dioxobutan-2-ylidene)hydrazinyl]benzenesulfonic acid
- English name
- 1,4-diethyl 2-[(4-sulphophenyl)hydrazono]succinate
- Molecular formula
- C14H18N2O7S
- Molecular weight
- 358.37
Names & synonyms
Butanedioic acid, [(4-sulfophenyl)hydrazono]-, 1,4-diethyl esterButanedioic acid, ((4-sulfophenyl)hydrazono)-, 1,4-diethyl esterZBT3A48MLZButanedioic acid, 2-[2-(4-sulfophenyl)hydrazinylidene]-, 1,4-diethyl esterDTXSID5059535XNVPROHJLYURRG-UHFFFAOYSA-N4-[2-(1,4-diethoxy-1,4-dioxobutan-2-ylidene)hydrazinyl]benzenesulfonic acidNS00023979Oxalacetic acid, diethyl ester, (p-sulfophenyl)hydrazone1,4-Diethyl 2-[2-(4-sulfophenyl)hydrazinylidene]butanedioate4-[2-(1,4-diethoxy-1,4-dioxobutan-2-ylidene)hydrazin-1-yl]benzene-1-sulfonic acid1,4-diethyl 2-[(4-sulphophenyl)hydrazono]succinate
Show more names
2-[2-(4-Sulfophenyl)hydrazono]butanedioic acid 1,4-diethyl ester4-[N'-[1,2-Bis(ethoxycarbonyl)ethylidene]hydrazino]benzenesulfonic acid
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 560
Physicochemical properties
- EPA Substance Registry System
- 4 · Butanedioic acid, [(4-sulfophenyl)hydrazono]-, 1,4-diethyl ester (121-94-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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