(1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate

Systemtic Name: (1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate Openeye Name: (1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate CAS Name: 4-(1-nonoxyethyl)benzoic acid (1-pentadecoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-pentadecoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate Traditional Name: 4-(1-nonoxyethyl)benzoic acid (1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C45H68O4 MolecularWeight: 673.01902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCCCC

InChI

InChI=1S/C45H68O4/c1-4-6-8-10-12-13-14-15-16-17-19-21-26-38-48-45(35-33-42(34-36-45)41-27-23-22-24-28-41)49-44(46)43-31-29-40(30-32-43)39(3)47-37-25-20-18-11-9-7-5-2/h22-24,27-36,39,42H,4-21,25-26,37-38H2,1-3H3