4-[2,3-bis(phenylmethoxy)phenyl]-5-hexyl-6-oxidanylidene-3-tetradecoxy-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 4-[2,3-bis(phenylmethoxy)phenyl]-5-hexyl-6-oxidanylidene-3-tetradecoxy-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 4-(2,3-dibenzyloxyphenyl)-5-hexyl-6-oxo-3-tetradecoxy-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 4-[2,3-bis(phenylmethoxy)phenyl]-5-hexyl-6-oxo-3-tetradecoxy-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 4-[2,3-bis(phenylmethoxy)phenyl]-5-hexyl-6-oxo-3-tetradecoxycyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 4-(2,3-dibenzoxyphenyl)-5-hexyl-6-keto-3-myristyloxy-cyclohexa-1,3-diene-1-carboxylic acid Formula: C47H62O6 MolecularWeight: 722.99158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(C(=O)C(=C1)C(=O)O)CCCCCC)C2=C(C(=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(C(=O)C(=C1)C(=O)O)CCCCCC)C2=C(C(=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C47H62O6/c1-3-5-7-9-10-11-12-13-14-15-16-24-33-51-43-34-41(47(49)50)45(48)39(30-23-8-6-4-2)44(43)40-31-25-32-42(52-35-37-26-19-17-20-27-37)46(40)53-36-38-28-21-18-22-29-38/h17-22,25-29,31-32,34,39H,3-16,23-24,30,33,35-36H2,1-2H3,(H,49,50)