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

Systemtic Name: (4,7,7-trimethyl-2-oxidanyl-5-oxidanylidene-cyclohept-3-en-1-yl) benzoate Openeye Name: (2-hydroxy-4,7,7-trimethyl-5-oxo-cyclohept-3-en-1-yl) benzoate CAS Name: benzoic 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) benzoate Traditional Name: benzoic acid (2-hydroxy-5-keto-4,7,7-trimethyl-cyclohept-3-en-1-yl) ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O4/c1-11-9-13(18)15(17(2,3)10-14(11)19)21-16(20)12-7-5-4-6-8-12/h4-9,13,15,18H,10H2,1-3H3