O1-(4-methylpentyl) O2-tridec-2-ynyl benzene-1,2-dicarboxylate

Systemtic Name: O1-(4-methylpentyl) O2-tridec-2-ynyl benzene-1,2-dicarboxylate Openeye Name: O1-isohexyl O2-tridec-2-ynyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-(4-methylpentyl) ester O2-tridec-2-ynyl ester IUPAC Name: 1-O-(4-methylpentyl) 2-O-tridec-2-ynyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-isohexyl ester O2-tridec-2-ynyl ester Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O4/c1-4-5-6-7-8-9-10-11-12-13-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-17-18-23(2)3/h14-15,19-20,23H,4-12,17-18,21-22H2,1-3H3