methyl 2-butyl-3-hex-1-ynyl-6-methyl-4-phenyl-benzoate

Systemtic Name: methyl 2-butyl-3-hex-1-ynyl-6-methyl-4-phenyl-benzoate Openeye Name: methyl 2-butyl-3-hex-1-ynyl-6-methyl-4-phenyl-benzoate CAS Name: 2-butyl-3-hex-1-ynyl-6-methyl-4-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-butyl-3-hex-1-ynyl-6-methyl-4-phenylbenzoate Traditional Name: 2-butyl-3-hex-1-ynyl-6-methyl-4-phenyl-benzoic acid methyl ester Formula: C25H30O2 MolecularWeight: 362.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C(=C(C=C1C2=CC=CC=C2)C)C(=O)OC)CCCC

Isomeric SMILES

CCCCC#CC1=C(C(=C(C=C1C2=CC=CC=C2)C)C(=O)OC)CCCC

InChI

InChI=1S/C25H30O2/c1-5-7-9-13-17-21-22(16-8-6-2)24(25(26)27-4)19(3)18-23(21)20-14-11-10-12-15-20/h10-12,14-15,18H,5-9,16H2,1-4H3