[4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-propylbenzoate

Systemtic Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-propylbenzoate Openeye Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-phenyl-1-(1-propoxyethyl)-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C27H32O3 MolecularWeight: 404.54118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCC

InChI

InChI=1S/C27H32O3/c1-4-9-22-12-14-25(15-13-22)26(28)30-27(21(3)29-20-5-2)18-16-24(17-19-27)23-10-7-6-8-11-23/h6-8,10-19,21,24H,4-5,9,20H2,1-3H3