1,3-BENZODIOXOLE, 2-(2-(2-(DIETHYLAMINO)ETHYLTHIO)ETHYL)-2-METHYL-, CITRATE
3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylsulfanyl]ethyl]azanium
| Molecular Formula | C22H33NO9S |
|---|---|
| Molecular Weight | 487.6 g/mol |
Chemical Identifiers
| CAS Number | 100310-91-6 |
|---|---|
| SMILES | CC[NH+](CC)CCSCCC1(OC2=CC=CC=C2O1)C.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O |
| InChIKey | HWXJIHXVEQIDST-UHFFFAOYSA-N |
📖 Product Overview
1,3-BENZODIOXOLE, 2-(2-(2-(DIETHYLAMINO)ETHYLTHIO)ETHYL)-2-METHYL-, CITRATE (CAS: 100310-91-6)
is a chemical compound with molecular formula C22H33NO9S
and molecular weight 487.6 g/mol.
Its IUPAC systematic name is 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylsulfanyl]ethyl]azanium.
InChI Key: HWXJIHXVEQIDST-UHFFFAOYSA-N.
SMILES: CC[NH+](CC)CCSCCC1(OC2=CC=CC=C2O1)C.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O.
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