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

Systemtic Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate Openeye Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate CAS Name: 4-nonoxybenzoic 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-nonoxybenzoate Traditional Name: 4-nonoxybenzoic acid [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C33H44O4 MolecularWeight: 504.70006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCC

InChI

InChI=1S/C33H44O4/c1-4-6-7-8-9-10-14-26-36-31-19-17-30(18-20-31)32(34)37-33(27(3)35-25-5-2)23-21-29(22-24-33)28-15-12-11-13-16-28/h11-13,15-24,27,29H,4-10,14,25-26H2,1-3H3