ethyl 2-butyl-3-hex-1-ynyl-6-methyl-4-octyl-benzoate

Systemtic Name: ethyl 2-butyl-3-hex-1-ynyl-6-methyl-4-octyl-benzoate Openeye Name: ethyl 2-butyl-3-hex-1-ynyl-6-methyl-4-octyl-benzoate CAS Name: 2-butyl-3-hex-1-ynyl-6-methyl-4-octylbenzoic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-hex-1-ynyl-6-methyl-4-octylbenzoate Traditional Name: 2-butyl-3-hex-1-ynyl-6-methyl-4-octyl-benzoic acid ethyl ester Formula: C28H44O2 MolecularWeight: 412.64776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C(=C1C#CCCCC)CCCC)C(=O)OCC)C

Isomeric SMILES

CCCCCCCCC1=CC(=C(C(=C1C#CCCCC)CCCC)C(=O)OCC)C

InChI

InChI=1S/C28H44O2/c1-6-10-13-15-16-17-19-24-22-23(5)27(28(29)30-9-4)26(20-12-8-3)25(24)21-18-14-11-7-2/h22H,6-17,19-20H2,1-5H3