4-[2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]ethynyl]benzoic acid Formula: C29H32O5 MolecularWeight: 460.56138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(OC)OC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(OC)OC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H32O5/c1-3-33-28(32-2)34-26-11-8-20(5-4-19-6-9-24(10-7-19)27(30)31)15-25(26)29-16-21-12-22(17-29)14-23(13-21)18-29/h6-11,15,21-23,28H,3,12-14,16-18H2,1-2H3,(H,30,31)