diethyl 4,5-bis(1-adamantyl)-3,6-dimethyl-benzene-1,2-dicarboxylate

Systemtic Name: diethyl 4,5-bis(1-adamantyl)-3,6-dimethyl-benzene-1,2-dicarboxylate Openeye Name: diethyl 4,5-bis(1-adamantyl)-3,6-dimethyl-benzene-1,2-dicarboxylate CAS Name: 4,5-bis(1-adamantyl)-3,6-dimethylbenzene-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4,5-bis(1-adamantyl)-3,6-dimethylbenzene-1,2-dicarboxylate Traditional Name: 4,5-bis(1-adamantyl)-3,6-dimethyl-benzene-1,2-dicarboxylic acid diethyl ester Formula: C34H46O4 MolecularWeight: 518.72664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1C)C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1C)C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6)C)C(=O)OCC

InChI

InChI=1S/C34H46O4/c1-5-37-31(35)27-19(3)29(33-13-21-7-22(14-33)9-23(8-21)15-33)30(20(4)28(27)32(36)38-6-2)34-16-24-10-25(17-34)12-26(11-24)18-34/h21-26H,5-18H2,1-4H3