(4,7,7-trimethyl-2-oxidanyl-5-oxidanylidene-cyclohept-3-en-1-yl) 4-methoxybenzoate

Systemtic Name: (4,7,7-trimethyl-2-oxidanyl-5-oxidanylidene-cyclohept-3-en-1-yl) 4-methoxybenzoate Openeye Name: (2-hydroxy-4,7,7-trimethyl-5-oxo-cyclohept-3-en-1-yl) 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid (2-hydroxy-4,7,7-trimethyl-5-oxo-1-cyclohept-3-enyl) ester IUPAC Name: (2-hydroxy-4,7,7-trimethyl-5-oxocyclohept-3-en-1-yl) 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (2-hydroxy-5-keto-4,7,7-trimethyl-cyclohept-3-en-1-yl) ester Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O5/c1-11-9-14(19)16(18(2,3)10-15(11)20)23-17(21)12-5-7-13(22-4)8-6-12/h5-9,14,16,19H,10H2,1-4H3