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

Systemtic Name: O2-(1-adamantylmethyl) O1-(4-methylpentyl) benzene-1,2-dicarboxylate Openeye Name: O2-(1-adamantylmethyl) O1-isohexyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(1-adamantylmethyl) ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-(1-adamantylmethyl) 1-O-(4-methylpentyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-adamantylmethyl) ester O1-isohexyl ester Formula: C25H34O4 MolecularWeight: 398.53506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34O4/c1-17(2)6-5-9-28-23(26)21-7-3-4-8-22(21)24(27)29-16-25-13-18-10-19(14-25)12-20(11-18)15-25/h3-4,7-8,17-20H,5-6,9-16H2,1-2H3