[2,3,3,4,5-pentakis(oxidanyl)-5-propyl-cyclohexyl]-phenyl-methanone

Systemtic Name: [2,3,3,4,5-pentakis(oxidanyl)-5-propyl-cyclohexyl]-phenyl-methanone Openeye Name: (2,3,3,4,5-pentahydroxy-5-propyl-cyclohexyl)-phenyl-methanone CAS Name: (2,3,3,4,5-pentahydroxy-5-propylcyclohexyl)-phenylmethanone IUPAC Name: (2,3,3,4,5-pentahydroxy-5-propylcyclohexyl)-phenylmethanone Traditional Name: (2,3,3,4,5-pentahydroxy-5-propyl-cyclohexyl)-phenyl-methanone Formula: C16H22O6 MolecularWeight: 310.34228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(C(C(C1O)(O)O)O)C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCC1(CC(C(C(C1O)(O)O)O)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C16H22O6/c1-2-8-15(20)9-11(13(18)16(21,22)14(15)19)12(17)10-6-4-3-5-7-10/h3-7,11,13-14,18-22H,2,8-9H2,1H3