[4-[(3R,6S)-3,7-dimethyl-6-oxidanyl-octanoyl]oxyphenyl] 4-(4-decoxyphenyl)benzoate

Systemtic Name: [4-[(3R,6S)-3,7-dimethyl-6-oxidanyl-octanoyl]oxyphenyl] 4-(4-decoxyphenyl)benzoate Openeye Name: [4-[(3R,6S)-6-hydroxy-3,7-dimethyl-octanoyl]oxyphenyl] 4-(4-decoxyphenyl)benzoate CAS Name: 4-(4-decoxyphenyl)benzoic acid [4-[(3R,6S)-6-hydroxy-3,7-dimethyl-1-oxooctoxy]phenyl] ester IUPAC Name: [4-[(3R,6S)-6-hydroxy-3,7-dimethyloctanoyl]oxyphenyl] 4-(4-decoxyphenyl)benzoate Traditional Name: 4-(4-decoxyphenyl)benzoic acid [4-[(3R,6S)-6-hydroxy-3,7-dimethyl-octanoyl]oxyphenyl] ester Formula: C39H52O6 MolecularWeight: 616.82658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OC(=O)CC(C)CCC(C(C)C)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OC(=O)C[C@H](C)CC[C@@H](C(C)C)O

InChI

InChI=1S/C39H52O6/c1-5-6-7-8-9-10-11-12-27-43-34-20-18-32(19-21-34)31-14-16-33(17-15-31)39(42)45-36-24-22-35(23-25-36)44-38(41)28-30(4)13-26-37(40)29(2)3/h14-25,29-30,37,40H,5-13,26-28H2,1-4H3/t30-,37+/m1/s1