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

Systemtic Name: O1-hexyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate Openeye Name: O1-hexyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-hexyl ester O2-tridec-2-ynyl ester IUPAC Name: 1-O-hexyl 2-O-tridec-2-ynyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-hexyl ester O2-tridec-2-ynyl ester Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-8-6-4-2/h16-17,20-21H,3-14,18,22-23H2,1-2H3