(Q82660434)

English

PUBCHEM_57347654

group of stereoisomers with the chemical formula C₁₆H₂₆O₇

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Statements

group of stereoisomers

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chemical compound

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330.167853172 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₆O₇

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based on heuristic

inferred from SMILES

canonical SMILES

CCCC(=O)OC1OC(C2COC(C)(C)O2)C2OC(C)(C)OC12

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCC(=O)O[C@H]1O[C@H](C2COC(C)(C)O2)C2OC(C)(C)O[C@H]21

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C16H26O7/c1-6-7-10(17)19-14-13-12(22-16(4,5)23-13)11(20-14)9-8-18-15(2,3)21-9/h9,11-14H,6-8H2,1-5H3/t9?,11-,12?,13-,14+/m1/s1

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INMKUQZPEKWDFA-ZDWBDGIJSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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