[2-ethyl-4-(4-heptoxyphenoxy)carbonyl-phenyl] 2-hexyl-1,3-dioxane-5-carboxylate

Systemtic Name: [2-ethyl-4-(4-heptoxyphenoxy)carbonyl-phenyl] 2-hexyl-1,3-dioxane-5-carboxylate Openeye Name: [2-ethyl-4-(4-heptoxyphenoxy)carbonyl-phenyl] 2-hexyl-1,3-dioxane-5-carboxylate CAS Name: 2-hexyl-1,3-dioxane-5-carboxylic acid [2-ethyl-4-[(4-heptoxyphenoxy)-oxomethyl]phenyl] ester IUPAC Name: [2-ethyl-4-(4-heptoxyphenoxy)carbonylphenyl] 2-hexyl-1,3-dioxane-5-carboxylate Traditional Name: 2-hexyl-1,3-dioxane-5-carboxylic acid [2-ethyl-4-(4-heptoxyphenoxy)carbonyl-phenyl] ester Formula: C33H46O7 MolecularWeight: 554.71414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C3COC(OC3)CCCCCC)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C3COC(OC3)CCCCCC)CC

InChI

InChI=1S/C33H46O7/c1-4-7-9-11-13-21-36-28-16-18-29(19-17-28)39-32(34)26-15-20-30(25(6-3)22-26)40-33(35)27-23-37-31(38-24-27)14-12-10-8-5-2/h15-20,22,27,31H,4-14,21,23-24H2,1-3H3