[1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate

Systemtic Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate Openeye Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate CAS Name: 4-nonoxybenzoic acid [1-(1-octadecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-octadecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate Traditional Name: 4-nonoxybenzoic acid [4-phenyl-1-(1-stearyloxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C48H74O4 MolecularWeight: 715.09876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCC

InChI

InChI=1S/C48H74O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-23-28-40-50-42(3)48(38-36-44(37-39-48)43-30-26-25-27-31-43)52-47(49)45-32-34-46(35-33-45)51-41-29-24-21-11-9-7-5-2/h25-27,30-39,42,44H,4-24,28-29,40-41H2,1-3H3