(Q105019332)

English

Diacarnoxide D

group of stereoisomers with the chemical formula C₂₅H₄₂O₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

406.308309824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₂O₄

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canonical SMILES

O=C(OC)C(C)C1OOC(C)(CCCC(=CCC2C(=CCCC2(C)C)C)C)CC1

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isomeric SMILES

COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CCC/C(C)=C/CC2C(C)=CCCC2(C)C)OO1

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Identifiers

InChI

InChI=1S/C25H42O4/c1-18(12-13-21-19(2)11-9-15-24(21,4)5)10-8-16-25(6)17-14-22(28-29-25)20(3)23(26)27-7/h11-12,20-22H,8-10,13-17H2,1-7H3/b18-12+/t20-,21?,22+,25-/m0/s1

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InChIKey

GTRMWSMRZUVWBH-CDNXMLBASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GTRMWSMRZUVWBH-CDNXMLBASA-N

1 reference

(Q105019332)

Diacarnoxide D

Statements

Identifiers

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