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

Systemtic Name: O1-ethyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-ethyl ester O2-tridec-2-ynyl ester IUPAC Name: 1-O-ethyl 2-O-tridec-2-ynyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-ethyl ester O2-tridec-2-ynyl ester Formula: C23H32O4 MolecularWeight: 372.49778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32O4/c1-3-5-6-7-8-9-10-11-12-13-16-19-27-23(25)21-18-15-14-17-20(21)22(24)26-4-2/h14-15,17-18H,3-12,19H2,1-2H3