(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate

Systemtic Name: (1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate Openeye Name: (1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate CAS Name: 4-(1-butoxyethyl)benzoic acid (1-butoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-butoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate Traditional Name: 4-(1-butoxyethyl)benzoic acid (1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C29H36O4 MolecularWeight: 448.59374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCC

Isomeric SMILES

CCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCC

InChI

InChI=1S/C29H36O4/c1-4-6-21-31-23(3)24-13-15-27(16-14-24)28(30)33-29(32-22-7-5-2)19-17-26(18-20-29)25-11-9-8-10-12-25/h8-20,23,26H,4-7,21-22H2,1-3H3