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

Systemtic Name: [1-(1-nonoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate Openeye Name: [1-(1-nonoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [1-(1-nonoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-nonoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [1-(1-nonoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C33H44O4 MolecularWeight: 504.70006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCC

InChI

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