O2-[2-(1-adamantyl)ethyl] O1-heptyl benzene-1,2-dicarboxylate

Systemtic Name: O2-[2-(1-adamantyl)ethyl] O1-heptyl benzene-1,2-dicarboxylate Openeye Name: O2-[2-(1-adamantyl)ethyl] O1-heptyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-[2-(1-adamantyl)ethyl] ester O1-heptyl ester IUPAC Name: 2-O-[2-(1-adamantyl)ethyl] 1-O-heptyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-[2-(1-adamantyl)ethyl] ester O1-heptyl ester Formula: C27H38O4 MolecularWeight: 426.58822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H38O4/c1-2-3-4-5-8-12-30-25(28)23-9-6-7-10-24(23)26(29)31-13-11-27-17-20-14-21(18-27)16-22(15-20)19-27/h6-7,9-10,20-22H,2-5,8,11-19H2,1H3