(3,6,6-trimethyl-7-oxidanyl-4-oxidanylidene-cyclohept-2-en-1-yl) (E)-3-[3-methoxy-2-(oxan-4-yloxy)phenyl]prop-2-enoate

Systemtic Name: (3,6,6-trimethyl-7-oxidanyl-4-oxidanylidene-cyclohept-2-en-1-yl) (E)-3-[3-methoxy-2-(oxan-4-yloxy)phenyl]prop-2-enoate Openeye Name: (7-hydroxy-3,6,6-trimethyl-4-oxo-cyclohept-2-en-1-yl) (E)-3-(3-methoxy-2-tetrahydropyran-4-yloxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-methoxy-2-(4-oxanyloxy)phenyl]-2-propenoic acid (7-hydroxy-3,6,6-trimethyl-4-oxo-1-cyclohept-2-enyl) ester IUPAC Name: (7-hydroxy-3,6,6-trimethyl-4-oxocyclohept-2-en-1-yl) (E)-3-[3-methoxy-2-(oxan-4-yloxy)phenyl]prop-2-enoate Traditional Name: (E)-3-(3-methoxy-2-tetrahydropyran-4-yloxy-phenyl)acrylic acid (7-hydroxy-4-keto-3,6,6-trimethyl-cyclohept-2-en-1-yl) ester Formula: C25H32O7 MolecularWeight: 444.51738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(CC1=O)(C)C)O)OC(=O)C=CC2=C(C(=CC=C2)OC)OC3CCOCC3

Isomeric SMILES

CC1=CC(C(C(CC1=O)(C)C)O)OC(=O)/C=C/C2=C(C(=CC=C2)OC)OC3CCOCC3

InChI

InChI=1S/C25H32O7/c1-16-14-21(24(28)25(2,3)15-19(16)26)32-22(27)9-8-17-6-5-7-20(29-4)23(17)31-18-10-12-30-13-11-18/h5-9,14,18,21,24,28H,10-13,15H2,1-4H3/b9-8+