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

Systemtic Name: O1-pentyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate Openeye Name: O1-pentyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-pentyl ester O2-tridec-2-ynyl ester IUPAC Name: 1-O-pentyl 2-O-tridec-2-ynyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-amyl ester O2-tridec-2-ynyl ester Formula: C26H38O4 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38O4/c1-3-5-7-8-9-10-11-12-13-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-6-4-2/h15-16,19-20H,3-13,17,21-22H2,1-2H3