2-[5-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]-2-methoxy-phenyl]ethynyl benzoate

Systemtic Name: 2-[5-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]-2-methoxy-phenyl]ethynyl benzoate Openeye Name: 2-[5-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]-2-methoxy-phenyl]ethynyl benzoate CAS Name: benzoic acid 2-[5-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]-2-methoxyphenyl]ethynyl ester IUPAC Name: 2-[5-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]-2-methoxyphenyl]ethynyl benzoate Traditional Name: benzoic acid 2-[5-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]-2-methoxy-phenyl]ethynyl ester Formula: C30H34O6 MolecularWeight: 490.58736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(OC)OC1=C(C=C(C(=C1)OC)C#COC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(OC)OC1=C(C=C(C(=C1)OC)C#COC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H34O6/c1-4-34-29(33-3)36-27-16-26(32-2)24(10-11-35-28(31)23-8-6-5-7-9-23)15-25(27)30-17-20-12-21(18-30)14-22(13-20)19-30/h5-9,15-16,20-22,29H,4,12-14,17-19H2,1-3H3