2,6-dimethylheptan-4-one; methanol; 2-methylnaphthalene

Systemtic Name: 2,6-dimethylheptan-4-one; methanol; 2-methylnaphthalene Openeye Name: 2,6-dimethylheptan-4-one; methanol; 2-methylnaphthalene CAS Name: 2,6-dimethyl-4-heptanone; methanol; 2-methylnaphthalene IUPAC Name: 2,6-dimethylheptan-4-one; methanol; 2-methylnaphthalene Traditional Name: 2,6-dimethylheptan-4-one; methanol; 2-methylnaphthalene Formula: C21H32O2 MolecularWeight: 316.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=C1.CC(C)CC(=O)CC(C)C.CO

Isomeric SMILES

CC1=CC2=CC=CC=C2C=C1.CC(C)CC(=O)CC(C)C.CO

InChI

InChI=1S/C11H10.C9H18O.CH4O/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7(2)5-9(10)6-8(3)4;1-2/h2-8H,1H3;7-8H,5-6H2,1-4H3;2H,1H3