[3-chloranyl-2-methyl-2-[[(E)-octadec-9-enoyl]oxymethyl]-3-oxidanylidene-propyl] (E)-octadec-9-enoate

Systemtic Name: [3-chloranyl-2-methyl-2-[[(E)-octadec-9-enoyl]oxymethyl]-3-oxidanylidene-propyl] (E)-octadec-9-enoate Openeye Name: [3-chloro-2-methyl-2-[[(E)-octadec-9-enoyl]oxymethyl]-3-oxo-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-chloro-2-methyl-3-oxo-2-[[(E)-1-oxooctadec-9-enoxy]methyl]propyl] ester IUPAC Name: [3-chloro-2-methyl-2-[[(E)-octadec-9-enoyl]oxymethyl]-3-oxopropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-chloro-3-keto-2-methyl-2-[[(E)-octadec-9-enoyl]oxymethyl]propyl] ester Formula: C41H73ClO5 MolecularWeight: 681.46832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCC=CCCCCCCCC)C(=O)Cl

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C(=O)Cl)(COC(=O)CCCCCCC/C=C/CCCCCCCC)C

InChI

InChI=1S/C41H73ClO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(43)46-36-41(3,40(42)45)37-47-39(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-37H2,1-3H3/b20-18+,21-19+