[4-(2-methylbutanoyl)-3-oxidanyl-phenyl] 4-(4-nonoxyphenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-(2-methylbutanoyl)-3-oxidanyl-phenyl] 4-(4-nonoxyphenyl)cyclohexane-1-carboxylate Openeye Name: [3-hydroxy-4-(2-methylbutanoyl)phenyl] 4-(4-nonoxyphenyl)cyclohexanecarboxylate CAS Name: 4-(4-nonoxyphenyl)-1-cyclohexanecarboxylic acid [3-hydroxy-4-(2-methyl-1-oxobutyl)phenyl] ester IUPAC Name: [3-hydroxy-4-(2-methylbutanoyl)phenyl] 4-(4-nonoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-nonoxyphenyl)cyclohexanecarboxylic acid [3-hydroxy-4-(2-methylbutanoyl)phenyl] ester Formula: C33H46O5 MolecularWeight: 522.71534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C(=O)C(C)CC)O

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C(=O)C(C)CC)O

InChI

InChI=1S/C33H46O5/c1-4-6-7-8-9-10-11-22-37-28-18-16-26(17-19-28)25-12-14-27(15-13-25)33(36)38-29-20-21-30(31(34)23-29)32(35)24(3)5-2/h16-21,23-25,27,34H,4-15,22H2,1-3H3