3-cyano-2-{[(9E)-octadec-9-enoyloxy]methyl}prop-2-en-1-yl (9E)-octadec-9-enoate

AlkaPlorer ID: AK128568

Synonym: None

IUPAC Name: [3-cyano-2-(octadec-9-enoyloxymethyl)prop-2-enyl] octadec-9-enoate

Structure

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(=CC#N)COC(=O)CCCCCCCC=CCCCCCCCC

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InChI: InChI=1S/C41H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)45-37-39(35-36-42)38-46-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35H,3-16,21-34,37-38H2,1-2H3

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InChIKey: AVSNDOJFLGZFSF-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Nephelium lappaceum Nephelium Sapindaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 642.0219999999999

TPSA: 76.39000000000001

MolLogP: 12.59777999999998

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information