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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(OC)OC1=CC(=C(C=C1C23CC4CC(C2)CC(C4)C3)C(C#C)O)OC(OC)OCC

Isomeric SMILES

CCOC(OC)OC1=CC(=C(C=C1C23CC4CC(C2)CC(C4)C3)C(C#C)O)OC(OC)OCC

InChI

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