O2-(2-methylpropyl) O1-tridec-2-ynyl benzene-1,2-dicarboxylate

Systemtic Name: O2-(2-methylpropyl) O1-tridec-2-ynyl benzene-1,2-dicarboxylate Openeye Name: O2-isobutyl O1-tridec-2-ynyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(2-methylpropyl) ester O1-tridec-2-ynyl ester IUPAC Name: 2-O-(2-methylpropyl) 1-O-tridec-2-ynyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-isobutyl ester O1-tridec-2-ynyl ester Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C

Isomeric SMILES

CCCCCCCCCCC#CCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C

InChI

InChI=1S/C25H36O4/c1-4-5-6-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-20-21(2)3/h14-15,17-18,21H,4-12,19-20H2,1-3H3