hexyl 1-decoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: hexyl 1-decoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: hexyl 1-decoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-decoxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid hexyl ester IUPAC Name: hexyl 1-decoxy-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-decoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid hexyl ester Formula: C29H44O3 MolecularWeight: 440.65786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OCCCCCC

InChI

InChI=1S/C29H44O3/c1-3-5-7-9-10-11-12-17-25-32-29(28(30)31-24-16-8-6-4-2)22-20-27(21-23-29)26-18-14-13-15-19-26/h13-15,18-23,27H,3-12,16-17,24-25H2,1-2H3