(phenylmethyl) 6-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-6-oxidanyl-hexanoate

Systemtic Name: (phenylmethyl) 6-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-6-oxidanyl-hexanoate Openeye Name: benzyl 6-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-6-hydroxy-hexanoate CAS Name: 6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-6-hydroxyhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-6-hydroxyhexanoate Traditional Name: 6-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-6-hydroxy-hexanoic acid benzyl ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(CCCCC(=O)OCC2=CC=CC=C2)O)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C(CCCCC(=O)OCC2=CC=CC=C2)O)C(=O)C1)C

InChI

InChI=1S/C21H26O5/c1-21(2)12-17(23)20(18(24)13-21)16(22)10-6-7-11-19(25)26-14-15-8-4-3-5-9-15/h3-5,8-9,22H,6-7,10-14H2,1-2H3