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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=CC(=C(C=C1C23CC4CC(C2)CC(C4)C3)C(C#C)O)OCOCCOC

Isomeric SMILES

COCCOCOC1=CC(=C(C=C1C23CC4CC(C2)CC(C4)C3)C(C#C)O)OCOCCOC

InChI

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