4-(1,3-benzodioxol-5-yl)-2-hexyl-cyclohexan-1-one; cyclohexanone

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-hexyl-cyclohexan-1-one; cyclohexanone Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-hexyl-cyclohexanone; cyclohexanone CAS Name: 4-(1,3-benzodioxol-5-yl)-2-hexyl-1-cyclohexanone; cyclohexanone IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-hexylcyclohexan-1-one; cyclohexanone Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-hexyl-cyclohexanone; cyclohexanone Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(CCC1=O)C2=CC3=C(C=C2)OCO3.C1CCC(=O)CC1

Isomeric SMILES

CCCCCCC1CC(CCC1=O)C2=CC3=C(C=C2)OCO3.C1CCC(=O)CC1

InChI

InChI=1S/C19H26O3.C6H10O/c1-2-3-4-5-6-16-11-14(7-9-17(16)20)15-8-10-18-19(12-15)22-13-21-18;7-6-4-2-1-3-5-6/h8,10,12,14,16H,2-7,9,11,13H2,1H3;1-5H2