methyl 2-[4-[bis(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[bis(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]phenoxy]acetate CAS Name: 2-[4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]phenoxy]acetate Traditional Name: 2-[4-[bis(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]phenoxy]acetic acid methyl ester Formula: C26H32O7 MolecularWeight: 456.52808

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)OCC(=O)OC)C3=C(CC(CC3=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)OCC(=O)OC)C3=C(CC(CC3=O)(C)C)O)O)C

InChI

InChI=1S/C26H32O7/c1-25(2)10-17(27)23(18(28)11-25)22(24-19(29)12-26(3,4)13-20(24)30)15-6-8-16(9-7-15)33-14-21(31)32-5/h6-9,22,27,29H,10-14H2,1-5H3