O1-(4-methylpentyl) O2-non-5-yn-3-yl benzene-1,2-dicarboxylate

Systemtic Name: O1-(4-methylpentyl) O2-non-5-yn-3-yl benzene-1,2-dicarboxylate Openeye Name: O2-(1-ethylhept-3-ynyl) O1-isohexyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-(4-methylpentyl) ester O2-non-5-yn-3-yl ester IUPAC Name: 1-O-(4-methylpentyl) 2-O-non-5-yn-3-yl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-ethylhept-3-ynyl) ester O1-isohexyl ester Formula: C23H32O4 MolecularWeight: 372.49778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCC(CC)OC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C

Isomeric SMILES

CCCC#CCC(CC)OC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C

InChI

InChI=1S/C23H32O4/c1-5-7-8-9-14-19(6-2)27-23(25)21-16-11-10-15-20(21)22(24)26-17-12-13-18(3)4/h10-11,15-16,18-19H,5-7,12-14,17H2,1-4H3