(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-propoxyethyl)benzoate

Systemtic Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-propoxyethyl)benzoate Openeye Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-propoxyethyl)benzoate CAS Name: 4-(1-propoxyethyl)benzoic acid (1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-propoxyethyl)benzoate Traditional Name: 4-(1-propoxyethyl)benzoic acid (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C31H40O3 MolecularWeight: 460.6475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCC

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCC

InChI

InChI=1S/C31H40O3/c1-4-6-7-8-12-21-31(22-19-28(20-23-31)27-13-10-9-11-14-27)34-30(32)29-17-15-26(16-18-29)25(3)33-24-5-2/h9-11,13-20,22-23,25,28H,4-8,12,21,24H2,1-3H3