(Q82995050)

English

1,2,3,4-Tetrahydrochrysene-1,2-diyl bis({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetate)

group of stereoisomers with the chemical formula C₄₂H₅₆O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

656.4076895119999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₆O₆

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based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC(C(C)C)C(OCC(=O)OC2CCc3c(ccc4c3ccc3ccccc34)C2OC(=O)COC2CC(C)CCC2C(C)C)C1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1CCC(C(C)C)C(OCC(=O)O[C@@H]2c3ccc4c(ccc5ccccc54)c3CC[C@H]2OC(=O)COC2CC(C)CCC2C(C)C)C1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C42H56O6/c1-25(2)30-14-11-27(5)21-38(30)45-23-40(43)47-37-20-19-35-34-16-13-29-9-7-8-10-32(29)33(34)17-18-36(35)42(37)48-41(44)24-46-39-22-28(6)12-15-31(39)26(3)4/h7-10,13,16-18,25-28,30-31,37-39,42H,11-12,14-15,19-24H2,1-6H3/t27?,28?,30?,31?,37-,38?,39?,42-/m1/s1

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InChIKey

PLZRBZREFHLELR-OSSMTASGSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID401428168

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(Q82995050)

1,2,3,4-Tetrahydrochrysene-1,2-diyl bis({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetate)

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