5-methyl-2-[(2S)-6-methylheptan-2-yl]-3-oxidanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 5-methyl-2-[(2S)-6-methylheptan-2-yl]-3-oxidanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[(1S)-1,5-dimethylhexyl]-3-hydroxy-5-methyl-1,4-benzoquinone CAS Name: 3-hydroxy-5-methyl-2-[(2S)-6-methylheptan-2-yl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-hydroxy-5-methyl-2-[(2S)-6-methylheptan-2-yl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(1S)-1,5-dimethylhexyl]-3-hydroxy-5-methyl-p-benzoquinone Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(C1=O)O)C(C)CCCC(C)C

Isomeric SMILES

CC1=CC(=O)C(=C(C1=O)O)[C@@H](C)CCCC(C)C

InChI

InChI=1S/C15H22O3/c1-9(2)6-5-7-10(3)13-12(16)8-11(4)14(17)15(13)18/h8-10,18H,5-7H2,1-4H3/t10-/m0/s1