O13-ethanoyl O1-hept-6-enyl 2,6,10-trimethyltridecanedioate

Systemtic Name: O13-ethanoyl O1-hept-6-enyl 2,6,10-trimethyltridecanedioate Openeye Name: O13-acetyl O1-hept-6-enyl 2,6,10-trimethyltridecanedioate CAS Name: 2,6,10-trimethyltridecanedioic acid O13-acetyl ester O1-hept-6-enyl ester IUPAC Name: 13-O-acetyl 1-O-hept-6-enyl 2,6,10-trimethyltridecanedioate Traditional Name: 2,6,10-trimethylbrassylic acid O13-acetyl ester O1-hept-6-enyl ester Formula: C25H44O5 MolecularWeight: 424.61386

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)CCC(=O)OC(=O)C)CCCC(C)C(=O)OCCCCCC=C

Isomeric SMILES

CC(CCCC(C)CCC(=O)OC(=O)C)CCCC(C)C(=O)OCCCCCC=C

InChI

InChI=1S/C25H44O5/c1-6-7-8-9-10-19-29-25(28)22(4)16-12-15-20(2)13-11-14-21(3)17-18-24(27)30-23(5)26/h6,20-22H,1,7-19H2,2-5H3