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

Systemtic Name: O1-heptyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate Openeye Name: O1-heptyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-heptyl ester O2-tridec-2-ynyl ester IUPAC Name: 1-O-heptyl 2-O-tridec-2-ynyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-heptyl ester O2-tridec-2-ynyl ester Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42O4/c1-3-5-7-9-10-11-12-13-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-8-6-4-2/h17-18,21-22H,3-15,19,23-24H2,1-2H3