phenyl 4-(1,3-dioxan-2-yl)-3-pentyl-benzoate

Systemtic Name: phenyl 4-(1,3-dioxan-2-yl)-3-pentyl-benzoate Openeye Name: phenyl 4-(1,3-dioxan-2-yl)-3-pentyl-benzoate CAS Name: 4-(1,3-dioxan-2-yl)-3-pentylbenzoic acid phenyl ester IUPAC Name: phenyl 4-(1,3-dioxan-2-yl)-3-pentylbenzoate Traditional Name: 3-amyl-4-(1,3-dioxan-2-yl)benzoic acid phenyl ester Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)C3OCCCO3

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)C3OCCCO3

InChI

InChI=1S/C22H26O4/c1-2-3-5-9-17-16-18(21(23)26-19-10-6-4-7-11-19)12-13-20(17)22-24-14-8-15-25-22/h4,6-7,10-13,16,22H,2-3,5,8-9,14-15H2,1H3