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

Systemtic Name: 4-[2,3-bis(phenylmethoxy)phenyl]-5-hexyl-3-octadecoxy-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 4-(2,3-dibenzyloxyphenyl)-5-hexyl-3-octadecoxy-6-oxo-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 4-[2,3-bis(phenylmethoxy)phenyl]-5-hexyl-3-octadecoxy-6-oxo-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 4-[2,3-bis(phenylmethoxy)phenyl]-5-hexyl-3-octadecoxy-6-oxocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 4-(2,3-dibenzoxyphenyl)-5-hexyl-6-keto-3-stearyloxy-cyclohexa-1,3-diene-1-carboxylic acid Formula: C51H70O6 MolecularWeight: 779.0979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=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

CCCCCCCCCCCCCCCCCCOC1=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/C51H70O6/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-28-37-55-47-38-45(51(53)54)49(52)43(34-27-8-6-4-2)48(47)44-35-29-36-46(56-39-41-30-23-21-24-31-41)50(44)57-40-42-32-25-22-26-33-42/h21-26,29-33,35-36,38,43H,3-20,27-28,34,37,39-40H2,1-2H3,(H,53,54)