O1-[(E)-4-(1-adamantyl)but-3-en-2-yl] O6-(3-oxidanylidenecyclohexyl) 2-ethyl-2,5,5-trimethyl-hexanedioate

Systemtic Name: O1-[(E)-4-(1-adamantyl)but-3-en-2-yl] O6-(3-oxidanylidenecyclohexyl) 2-ethyl-2,5,5-trimethyl-hexanedioate Openeye Name: O1-[(E)-3-(1-adamantyl)-1-methyl-allyl] O6-(3-oxocyclohexyl) 2-ethyl-2,5,5-trimethyl-hexanedioate CAS Name: 2-ethyl-2,5,5-trimethylhexanedioic acid O1-[(E)-4-(1-adamantyl)but-3-en-2-yl] ester O6-(3-oxocyclohexyl) ester IUPAC Name: 1-O-[(E)-4-(1-adamantyl)but-3-en-2-yl] 6-O-(3-oxocyclohexyl) 2-ethyl-2,5,5-trimethylhexanedioate Traditional Name: 2-ethyl-2,5,5-trimethyl-adipic acid O1-[(E)-3-(1-adamantyl)-1-methyl-allyl] ester O6-(3-ketocyclohexyl) ester Formula: C31H48O5 MolecularWeight: 500.70982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCC(C)(C)C(=O)OC1CCCC(=O)C1)C(=O)OC(C)C=CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(C)(CCC(C)(C)C(=O)OC1CCCC(=O)C1)C(=O)OC(C)/C=C/C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C31H48O5/c1-6-30(5,13-12-29(3,4)27(33)36-26-9-7-8-25(32)17-26)28(34)35-21(2)10-11-31-18-22-14-23(19-31)16-24(15-22)20-31/h10-11,21-24,26H,6-9,12-20H2,1-5H3/b11-10+