(Q105112342)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

530.433510336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₈O₄

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Nepeta clarkei

1 reference

stated in

Two new phthalate derivatives from Nepeta clarkei (Labiatae).

Identifiers

InChI

InChI=1S/C34H58O4/c1-5-9-11-13-15-17-19-23-29(7-3)27-37-33(35)31-25-21-22-26-32(31)34(36)38-28-30(8-4)24-20-18-16-14-12-10-6-2/h21-22,25-26,29-30H,5-20,23-24,27-28H2,1-4H3/t29-,30+

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InChIKey

IFSGOFCDQVTXIU-RNPORBBMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFSGOFCDQVTXIU-RNPORBBMSA-N

(Q105112342)

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

Statements

Identifiers

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