3-(4-heptoxyphenyl)-3-methyl-butan-2-one

Systemtic Name: 3-(4-heptoxyphenyl)-3-methyl-butan-2-one Openeye Name: 3-(4-heptoxyphenyl)-3-methyl-butan-2-one CAS Name: 3-(4-heptoxyphenyl)-3-methyl-2-butanone IUPAC Name: 3-(4-heptoxyphenyl)-3-methylbutan-2-one Traditional Name: 3-(4-heptoxyphenyl)-3-methyl-butan-2-one Formula: C18H28O2 MolecularWeight: 276.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(C)(C)C(=O)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(C)(C)C(=O)C

InChI

InChI=1S/C18H28O2/c1-5-6-7-8-9-14-20-17-12-10-16(11-13-17)18(3,4)15(2)19/h10-13H,5-9,14H2,1-4H3