2-[(1R,2S)-5-methyl-2-propan-2-yl-cyclohexyl]-3-oxidanyl-5-pentyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(1R,2S)-5-methyl-2-propan-2-yl-cyclohexyl]-3-oxidanyl-5-pentyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-hydroxy-2-[(1R,2S)-2-isopropyl-5-methyl-cyclohexyl]-5-pentyl-1,4-benzoquinone CAS Name: 3-hydroxy-2-[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl]-5-pentylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-hydroxy-2-[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl]-5-pentylcyclohexa-2,5-diene-1,4-dione Traditional Name: 5-amyl-3-hydroxy-2-[(1R,2S)-2-isopropyl-5-methyl-cyclohexyl]-p-benzoquinone Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=O)C(=C(C1=O)O)C2CC(CCC2C(C)C)C

Isomeric SMILES

CCCCCC1=CC(=O)C(=C(C1=O)O)[C@@H]2CC(CC[C@H]2C(C)C)C

InChI

InChI=1S/C21H32O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h12-14,16-17,24H,5-11H2,1-4H3/t14?,16-,17+/m0/s1