(4-octan-2-yloxyphenyl) 4-phenyl-1-(2-propoxypropanoyloxy)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: (4-octan-2-yloxyphenyl) 4-phenyl-1-(2-propoxypropanoyloxy)cyclohexa-2,5-diene-1-carboxylate Openeye Name: [4-(1-methylheptoxy)phenyl] 4-phenyl-1-(2-propoxypropanoyloxy)cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-(1-oxo-2-propoxypropoxy)-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid (4-octan-2-yloxyphenyl) ester IUPAC Name: (4-octan-2-yloxyphenyl) 4-phenyl-1-(2-propoxypropanoyloxy)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-phenyl-1-(2-propoxypropanoyloxy)cyclohexa-2,5-diene-1-carboxylic acid [4-(1-methylheptoxy)phenyl] ester Formula: C33H42O6 MolecularWeight: 534.68298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)OC(=O)C2(C=CC(C=C2)C3=CC=CC=C3)OC(=O)C(C)OCCC

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)OC(=O)C2(C=CC(C=C2)C3=CC=CC=C3)OC(=O)C(C)OCCC

InChI

InChI=1S/C33H42O6/c1-5-7-8-10-13-25(3)37-29-16-18-30(19-17-29)38-32(35)33(39-31(34)26(4)36-24-6-2)22-20-28(21-23-33)27-14-11-9-12-15-27/h9,11-12,14-23,25-26,28H,5-8,10,13,24H2,1-4H3