1-[5-(1-adamantyl)-2,4-bis(1-methoxyethoxymethoxy)phenyl]prop-2-yn-1-ol

Systemtic Name: 1-[5-(1-adamantyl)-2,4-bis(1-methoxyethoxymethoxy)phenyl]prop-2-yn-1-ol Openeye Name: 1-[5-(1-adamantyl)-2,4-bis(1-methoxyethoxymethoxy)phenyl]prop-2-yn-1-ol CAS Name: 1-[5-(1-adamantyl)-2,4-bis(1-methoxyethoxymethoxy)phenyl]-2-propyn-1-ol IUPAC Name: 1-[5-(1-adamantyl)-2,4-bis(1-methoxyethoxymethoxy)phenyl]prop-2-yn-1-ol Traditional Name: 1-[5-(1-adamantyl)-2,4-bis(1-methoxyethoxymethoxy)phenyl]prop-2-yn-1-ol Formula: C27H38O7 MolecularWeight: 474.58642

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=CC(=C(C=C1C23CC4CC(C2)CC(C4)C3)C(C#C)O)OCOC(C)OC

Isomeric SMILES

CC(OC)OCOC1=CC(=C(C=C1C23CC4CC(C2)CC(C4)C3)C(C#C)O)OCOC(C)OC

InChI

InChI=1S/C27H38O7/c1-6-24(28)22-10-23(27-12-19-7-20(13-27)9-21(8-19)14-27)26(34-16-32-18(3)30-5)11-25(22)33-15-31-17(2)29-4/h1,10-11,17-21,24,28H,7-9,12-16H2,2-5H3