dimethyl 3,6-bis(hept-5-ynyl)-4-pentyl-benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 3,6-bis(hept-5-ynyl)-4-pentyl-benzene-1,2-dicarboxylate Openeye Name: dimethyl 3,6-bis(hept-5-ynyl)-4-pentyl-benzene-1,2-dicarboxylate CAS Name: 3,6-bis(hept-5-ynyl)-4-pentylbenzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,6-bis(hept-5-ynyl)-4-pentylbenzene-1,2-dicarboxylate Traditional Name: 4-amyl-3,6-bis(hept-5-ynyl)benzene-1,2-dicarboxylic acid dimethyl ester Formula: C29H40O4 MolecularWeight: 452.6255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C(=C1)CCCCC#CC)C(=O)OC)C(=O)OC)CCCCC#CC

Isomeric SMILES

CCCCCC1=C(C(=C(C(=C1)CCCCC#CC)C(=O)OC)C(=O)OC)CCCCC#CC

InChI

InChI=1S/C29H40O4/c1-6-9-12-14-17-20-24-22-23(19-16-11-8-3)25(21-18-15-13-10-7-2)27(29(31)33-5)26(24)28(30)32-4/h22H,8,11-21H2,1-5H3