O2-(1-adamantylmethyl) O1-hexyl benzene-1,2-dicarboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34O4/c1-2-3-4-7-10-28-23(26)21-8-5-6-9-22(21)24(27)29-17-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-6,8-9,18-20H,2-4,7,10-17H2,1H3