4-[[(3S,6S)-6-methyl-2-oxidanylidene-3-propan-2-yl-cyclohexylidene]methyl]benzoate

Systemtic Name: 4-[[(3S,6S)-6-methyl-2-oxidanylidene-3-propan-2-yl-cyclohexylidene]methyl]benzoate Openeye Name: 4-[[(3S,6S)-3-isopropyl-6-methyl-2-oxo-cyclohexylidene]methyl]benzoate CAS Name: 4-[[(3S,6S)-6-methyl-2-oxo-3-propan-2-ylcyclohexylidene]methyl]benzoate IUPAC Name: 4-[[(3S,6S)-6-methyl-2-oxo-3-propan-2-ylcyclohexylidene]methyl]benzoate Traditional Name: 4-[[(3S,6S)-3-isopropyl-2-keto-6-methyl-cyclohexylidene]methyl]benzoate Formula: C18H21O3- MolecularWeight: 285.35754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1=CC2=CC=C(C=C2)C(=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@H](C(=O)C1=CC2=CC=C(C=C2)C(=O)[O-])C(C)C

InChI

InChI=1S/C18H22O3/c1-11(2)15-9-4-12(3)16(17(15)19)10-13-5-7-14(8-6-13)18(20)21/h5-8,10-12,15H,4,9H2,1-3H3,(H,20,21)/p-1/t12-,15-/m0/s1