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

Systemtic Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate Openeye Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic 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-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C27H32O4 MolecularWeight: 420.54058

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCC

InChI

InChI=1S/C27H32O4/c1-4-19-29-21(3)27(17-15-23(16-18-27)22-9-7-6-8-10-22)31-26(28)24-11-13-25(14-12-24)30-20-5-2/h6-18,21,23H,4-5,19-20H2,1-3H3