2-[(1R,2R,3S,4R)-2-methanoyl-4-methyl-3-(3-oxidanylidenebutyl)cyclohexyl]prop-2-enoic acid

Systemtic Name: 2-[(1R,2R,3S,4R)-2-methanoyl-4-methyl-3-(3-oxidanylidenebutyl)cyclohexyl]prop-2-enoic acid Openeye Name: 2-[(1R,2R,3S,4R)-2-formyl-4-methyl-3-(3-oxobutyl)cyclohexyl]prop-2-enoic acid CAS Name: 2-[(1R,2R,3S,4R)-2-formyl-4-methyl-3-(3-oxobutyl)cyclohexyl]-2-propenoic acid IUPAC Name: 2-[(1R,2R,3S,4R)-2-formyl-4-methyl-3-(3-oxobutyl)cyclohexyl]prop-2-enoic acid Traditional Name: 2-[(1R,2R,3S,4R)-2-formyl-3-(3-ketobutyl)-4-methyl-cyclohexyl]acrylic acid Formula: C15H22O4 MolecularWeight: 266.33278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1CCC(=O)C)C=O)C(=C)C(=O)O

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H]([C@H]1CCC(=O)C)C=O)C(=C)C(=O)O

InChI

InChI=1S/C15H22O4/c1-9-4-6-13(11(3)15(18)19)14(8-16)12(9)7-5-10(2)17/h8-9,12-14H,3-7H2,1-2H3,(H,18,19)/t9-,12+,13+,14-/m1/s1