4-(4-decanoyloxyphenyl)-1-[2-(5-methylhexan-2-yloxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-(4-decanoyloxyphenyl)-1-[2-(5-methylhexan-2-yloxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-(4-decanoyloxyphenyl)-1-[2-(1,4-dimethylpentoxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-[2-[5-methylhexan-2-yloxy(oxo)methyl]phenyl]-4-[4-(1-oxodecoxy)phenyl]-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-(4-decanoyloxyphenyl)-1-[2-(5-methylhexan-2-yloxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-(4-capryloxyphenyl)-1-[2-(1,4-dimethylpentoxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Formula: C37H47O6- MolecularWeight: 587.76548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2C=CC(C=C2)(C3=CC=CC=C3C(=O)OC(C)CCC(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2C=CC(C=C2)(C3=CC=CC=C3C(=O)OC(C)CCC(C)C)C(=O)[O-]

InChI

InChI=1S/C37H48O6/c1-5-6-7-8-9-10-11-16-34(38)43-31-21-19-29(20-22-31)30-23-25-37(26-24-30,36(40)41)33-15-13-12-14-32(33)35(39)42-28(4)18-17-27(2)3/h12-15,19-28,30H,5-11,16-18H2,1-4H3,(H,40,41)/p-1