(Q104991135)

English

1-O-[(2R)-2-ethyltridecyl] 2-O-[(2S)-2-ethyltridecyl] benzene-1,2-dicarboxylate

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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586.496110592 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₆₆O₄

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canonical SMILES

O=C(OCC(CC)CCCCCCCCCCC)C=1C=CC=CC1C(=O)OCC(CC)CCCCCCCCCCC

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isomeric SMILES

CCCCCCCCCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCCCCCCCCC

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1 reference

Two new phthalate derivatives from Nepeta clarkei (Labiatae).

Identifiers

InChI=1S/C38H66O4/c1-5-9-11-13-15-17-19-21-23-27-33(7-3)31-41-37(39)35-29-25-26-30-36(35)38(40)42-32-34(8-4)28-24-22-20-18-16-14-12-10-6-2/h25-26,29-30,33-34H,5-24,27-28,31-32H2,1-4H3/t33-,34+

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DXPOMSPTIUISLS-AQOUDTPCSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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