ethenyl 4-(1-adamantyl)-2-[3-(6-oxidanylhexoxy)phenyl]benzoate

Systemtic Name: ethenyl 4-(1-adamantyl)-2-[3-(6-oxidanylhexoxy)phenyl]benzoate Openeye Name: vinyl 4-(1-adamantyl)-2-[3-(6-hydroxyhexoxy)phenyl]benzoate CAS Name: 4-(1-adamantyl)-2-[3-(6-hydroxyhexoxy)phenyl]benzoic acid ethenyl ester IUPAC Name: ethenyl 4-(1-adamantyl)-2-[3-(6-hydroxyhexoxy)phenyl]benzoate Traditional Name: 4-(1-adamantyl)-2-[3-(6-hydroxyhexoxy)phenyl]benzoic acid vinyl ester Formula: C31H38O4 MolecularWeight: 474.63102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=COC(=O)C1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)OCCCCCCO

Isomeric SMILES

C=COC(=O)C1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)OCCCCCCO

InChI

InChI=1S/C31H38O4/c1-2-34-30(33)28-11-10-26(31-19-22-14-23(20-31)16-24(15-22)21-31)18-29(28)25-8-7-9-27(17-25)35-13-6-4-3-5-12-32/h2,7-11,17-18,22-24,32H,1,3-6,12-16,19-21H2