hexyl 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-ynyl]benzoate

Systemtic Name: hexyl 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-ynyl]benzoate Openeye Name: hexyl 4-[3-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-ynyl]benzoate CAS Name: 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-ynyl]benzoic acid hexyl ester IUPAC Name: hexyl 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-ynyl]benzoate Traditional Name: 4-[3-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-ynyl]benzoic acid hexyl ester Formula: C30H38O2 MolecularWeight: 430.62152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)C#CCC2=CC3=C(C=C2)C(CCC3(C)C)(C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)C#CCC2=CC3=C(C=C2)C(CCC3(C)C)(C)C

InChI

InChI=1S/C30H38O2/c1-6-7-8-9-21-32-28(31)25-16-13-23(14-17-25)11-10-12-24-15-18-26-27(22-24)30(4,5)20-19-29(26,2)3/h13-18,22H,6-9,12,19-21H2,1-5H3