ethyl 5-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]thiophen-2-yl]pentanoate

Systemtic Name: ethyl 5-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]thiophen-2-yl]pentanoate Openeye Name: ethyl 5-[5-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]-2-thienyl]pentanoate CAS Name: 5-[5-[2-(4,4-diethyl-7-hexyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-thiophenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]thiophen-2-yl]pentanoate Traditional Name: 5-[5-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]-2-thienyl]valeric acid ethyl ester Formula: C32H44O3S MolecularWeight: 508.75496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(S3)CCCCC(=O)OCC)C(CCO2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(S3)CCCCC(=O)OCC)C(CCO2)(CC)CC

InChI

InChI=1S/C32H44O3S/c1-5-9-10-11-14-25-24-30-29(32(6-2,7-3)21-22-35-30)23-26(25)17-18-28-20-19-27(36-28)15-12-13-16-31(33)34-8-4/h19-20,23-24H,5-16,21-22H2,1-4H3