dimethyl 4-hexa-1,3,5-triynyl-2,2,6-trimethyl-heptanedioate

Systemtic Name: dimethyl 4-hexa-1,3,5-triynyl-2,2,6-trimethyl-heptanedioate Openeye Name: dimethyl 4-hexa-1,3,5-triynyl-2,2,6-trimethyl-heptanedioate CAS Name: 4-hexa-1,3,5-triynyl-2,2,6-trimethylheptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-hexa-1,3,5-triynyl-2,2,6-trimethylheptanedioate Traditional Name: 4-hexa-1,3,5-triynyl-2,2,6-trimethyl-pimelic acid dimethyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(C)(C)C(=O)OC)C#CC#CC#C)C(=O)OC

Isomeric SMILES

CC(CC(CC(C)(C)C(=O)OC)C#CC#CC#C)C(=O)OC

InChI

InChI=1S/C18H22O4/c1-7-8-9-10-11-15(12-14(2)16(19)21-5)13-18(3,4)17(20)22-6/h1,14-15H,12-13H2,2-6H3