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

Systemtic Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-butoxybenzoate Openeye Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C28H34O4 MolecularWeight: 434.56716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCC

InChI

InChI=1S/C28H34O4/c1-4-6-21-31-26-14-12-25(13-15-26)27(29)32-28(22(3)30-20-5-2)18-16-24(17-19-28)23-10-8-7-9-11-23/h7-19,22,24H,4-6,20-21H2,1-3H3