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

Systemtic Name: [1-(1-dodecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate Openeye Name: [1-(1-dodecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [1-(1-dodecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-dodecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [1-(1-lauryloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C36H50O3 MolecularWeight: 530.7804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C36H50O3/c1-4-6-7-8-9-10-11-12-13-17-29-38-30(3)36(27-25-33(26-28-36)32-19-15-14-16-20-32)39-35(37)34-23-21-31(18-5-2)22-24-34/h14-16,19-28,30,33H,4-13,17-18,29H2,1-3H3