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

Systemtic Name: O2-(1-adamantylmethyl) O1-heptyl benzene-1,2-dicarboxylate Openeye Name: O2-(1-adamantylmethyl) O1-heptyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(1-adamantylmethyl) ester O1-heptyl ester IUPAC Name: 2-O-(1-adamantylmethyl) 1-O-heptyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-adamantylmethyl) ester O1-heptyl ester Formula: C26H36O4 MolecularWeight: 412.56164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36O4/c1-2-3-4-5-8-11-29-24(27)22-9-6-7-10-23(22)25(28)30-18-26-15-19-12-20(16-26)14-21(13-19)17-26/h6-7,9-10,19-21H,2-5,8,11-18H2,1H3