O1-decyl O2-non-5-yn-3-yl benzene-1,2-dicarboxylate

Systemtic Name: O1-decyl O2-non-5-yn-3-yl benzene-1,2-dicarboxylate Openeye Name: O1-decyl O2-(1-ethylhept-3-ynyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-decyl ester O2-non-5-yn-3-yl ester IUPAC Name: 1-O-decyl 2-O-non-5-yn-3-yl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-decyl ester O2-(1-ethylhept-3-ynyl) ester Formula: C27H40O4 MolecularWeight: 428.6041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC(CC)CC#CCCC

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC(CC)CC#CCCC

InChI

InChI=1S/C27H40O4/c1-4-7-9-11-12-13-14-18-22-30-26(28)24-20-16-17-21-25(24)27(29)31-23(6-3)19-15-10-8-5-2/h16-17,20-21,23H,4-9,11-14,18-19,22H2,1-3H3