2-[(1R,5S)-5-methyl-4-[(E)-3-oxidanylidenebut-1-enyl]cyclohept-3-en-1-yl]prop-2-enoic acid

Systemtic Name: 2-[(1R,5S)-5-methyl-4-[(E)-3-oxidanylidenebut-1-enyl]cyclohept-3-en-1-yl]prop-2-enoic acid Openeye Name: 2-[(1R,5S)-5-methyl-4-[(E)-3-oxobut-1-enyl]cyclohept-3-en-1-yl]prop-2-enoic acid CAS Name: 2-[(1R,5S)-5-methyl-4-[(E)-3-oxobut-1-enyl]-1-cyclohept-3-enyl]-2-propenoic acid IUPAC Name: 2-[(1R,5S)-5-methyl-4-[(E)-3-oxobut-1-enyl]cyclohept-3-en-1-yl]prop-2-enoic acid Traditional Name: 2-[(1R,5S)-4-[(E)-3-ketobut-1-enyl]-5-methyl-cyclohept-3-en-1-yl]acrylic acid Formula: C15H20O3 MolecularWeight: 248.3175

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC=C1C=CC(=O)C)C(=C)C(=O)O

Isomeric SMILES

C[C@H]1CC[C@H](CC=C1/C=C/C(=O)C)C(=C)C(=O)O

InChI

InChI=1S/C15H20O3/c1-10-4-6-14(12(3)15(17)18)9-8-13(10)7-5-11(2)16/h5,7-8,10,14H,3-4,6,9H2,1-2H3,(H,17,18)/b7-5+/t10-,14+/m0/s1