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Basic information
- CAS
64036-50-6- Standard SMILES
Clc1ccc2c(c1)C1(OCC(CN3CCCCCC3)O1)c1ccccc1CO2.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
BDCBHVZKPKPCIE-UHFFFAOYSA-N- Molecular formula
- C29H34ClNO10
- Average molar mass
- 592.041 g/mol
- Monoisotopic mass
- 591.18712397
Names & identifiers
- Preferred name
- 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-[(2-chloro-6H-spiro[dibenzo[b,e]oxepine-11,2'-[1,3]dioxolan]-4'-yl)methyl]azepane (1/1)
- IUPAC
- 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-[(2-chloro-6H-spiro[dibenzo[b,e]oxepine-11,2'-[1,3]dioxolan]-4'-yl)methyl]azepane (1/1)
Database identifiers
- CAS
64036-50-6- PubChem CID
- 115682
- DTXSID
DTXSID70981978
Related reactions
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Compound notes
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