4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)butan-1-one

Systemtic Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)butan-1-one Openeye Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)butan-1-one CAS Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)-1-butanone IUPAC Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)butan-1-one Traditional Name: 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)butan-1-one Formula: C23H36O3 MolecularWeight: 360.53014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)CCCC2OCC(CO2)(C)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)CCCC2OCC(CO2)(C)C

InChI

InChI=1S/C23H36O3/c1-4-5-6-7-8-10-19-13-15-20(16-14-19)21(24)11-9-12-22-25-17-23(2,3)18-26-22/h13-16,22H,4-12,17-18H2,1-3H3