O1-octyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate

Systemtic Name: O1-octyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate Openeye Name: O1-octyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-octyl ester O2-tridec-2-ynyl ester IUPAC Name: 1-O-octyl 2-O-tridec-2-ynyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-octyl ester O2-tridec-2-ynyl ester Formula: C29H44O4 MolecularWeight: 456.65726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC#CCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC

InChI

InChI=1S/C29H44O4/c1-3-5-7-9-11-12-13-14-15-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-16-10-8-6-4-2/h18-19,22-23H,3-16,20,24-25H2,1-2H3