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

Systemtic Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate Openeye Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate CAS Name: 4-(1-nonoxyethyl)benzoic acid (1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate Traditional Name: 4-(1-nonoxyethyl)benzoic acid (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C37H52O3 MolecularWeight: 544.80698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCCCCC

InChI

InChI=1S/C37H52O3/c1-4-6-8-10-11-13-18-30-39-31(3)32-21-23-35(24-22-32)36(38)40-37(27-17-12-9-7-5-2)28-25-34(26-29-37)33-19-15-14-16-20-33/h14-16,19-26,28-29,31,34H,4-13,17-18,27,30H2,1-3H3