2-[5-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)-3-ethynyl-furan-2-yl]ethanoate

Systemtic Name: 2-[5-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)-3-ethynyl-furan-2-yl]ethanoate Openeye Name: 2-[5-(4,4-diethyl-7-hexyl-chroman-6-yl)-3-ethynyl-2-furyl]acetate CAS Name: 2-[5-(4,4-diethyl-7-hexyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-ethynyl-2-furanyl]acetate IUPAC Name: 2-[5-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)-3-ethynylfuran-2-yl]acetate Traditional Name: 2-[5-(4,4-diethyl-7-hexyl-chroman-6-yl)-3-ethynyl-2-furyl]acetate Formula: C27H33O4- MolecularWeight: 421.54852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C3=CC(=C(O3)CC(=O)[O-])C#C)C(CCO2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C3=CC(=C(O3)CC(=O)[O-])C#C)C(CCO2)(CC)CC

InChI

InChI=1S/C27H34O4/c1-5-9-10-11-12-20-16-25-22(27(7-3,8-4)13-14-30-25)17-21(20)24-15-19(6-2)23(31-24)18-26(28)29/h2,15-17H,5,7-14,18H2,1,3-4H3,(H,28,29)/p-1