ethyl 2-[4-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]pentanoate

Systemtic Name: ethyl 2-[4-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]pentanoate Openeye Name: ethyl 2-[4-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]phenyl]pentanoate CAS Name: 2-[4-[2-(7-hexyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]pentanoate Traditional Name: 2-[4-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]phenyl]valeric acid ethyl ester Formula: C32H42O3 MolecularWeight: 474.67408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(CCC)C(=O)OCC)C(CCO2)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(CCC)C(=O)OCC)C(CCO2)(C)C

InChI

InChI=1S/C32H42O3/c1-6-9-10-11-13-26-23-30-29(32(4,5)20-21-35-30)22-27(26)19-16-24-14-17-25(18-15-24)28(12-7-2)31(33)34-8-3/h14-15,17-18,22-23,28H,6-13,20-21H2,1-5H3