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

Systemtic Name: O1-butyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-tridec-2-ynyl ester IUPAC Name: 1-O-butyl 2-O-tridec-2-ynyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H36O4/c1-3-5-7-8-9-10-11-12-13-14-17-21-29-25(27)23-19-16-15-18-22(23)24(26)28-20-6-4-2/h15-16,18-19H,3-13,20-21H2,1-2H3