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

Systemtic Name: 2-[(2R,5S)-2-acetyloxy-5-methyl-4-(3-oxidanylidenebutyl)cyclohept-3-en-1-yl]prop-2-enoic acid Openeye Name: 2-[(2R,5S)-2-acetoxy-5-methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl]prop-2-enoic acid CAS Name: 2-[(2R,5S)-2-acetyloxy-5-methyl-4-(3-oxobutyl)-1-cyclohept-3-enyl]-2-propenoic acid IUPAC Name: 2-[(2R,5S)-2-acetyloxy-5-methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl]prop-2-enoic acid Traditional Name: 2-[(2R,5S)-2-acetoxy-4-(3-ketobutyl)-5-methyl-cyclohept-3-en-1-yl]acrylic acid Formula: C17H24O5 MolecularWeight: 308.36946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCC([C@@H](C=C1CCC(=O)C)OC(=O)C)C(=C)C(=O)O

InChI

InChI=1S/C17H24O5/c1-10-5-8-15(12(3)17(20)21)16(22-13(4)19)9-14(10)7-6-11(2)18/h9-10,15-16H,3,5-8H2,1-2,4H3,(H,20,21)/t10-,15?,16+/m0/s1