1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl 2-methylbutanoate; 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl nonanoate

Systemtic Name: 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl 2-methylbutanoate; 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl nonanoate Openeye Name: [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] 2-methylbutanoate; [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] nonanoate CAS Name: 2-methylbutanoic acid 1-[(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester; nonanoic acid 1-[(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl 2-methylbutanoate; 1-(1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl nonanoate Traditional Name: 2-methylbutyric acid [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester; pelargonic acid [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C60H92O8 MolecularWeight: 941.36768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(C)COC1(C=CC(C=C1)C2=CC=CC=C2)OCCCCCCCC.CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCC(=O)OC(C)COC1(C=CC(C=C1)C2=CC=CC=C2)OCCCCCCCC.CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)C(C)CC

InChI

InChI=1S/C32H50O4.C28H42O4/c1-4-6-8-10-12-17-21-31(33)36-28(3)27-35-32(34-26-18-13-11-9-7-5-2)24-22-30(23-25-32)29-19-15-14-16-20-29;1-5-7-8-9-10-14-21-30-28(31-22-24(4)32-27(29)23(3)6-2)19-17-26(18-20-28)25-15-12-11-13-16-25/h14-16,19-20,22-25,28,30H,4-13,17-18,21,26-27H2,1-3H3;11-13,15-20,23-24,26H,5-10,14,21-22H2,1-4H3