2-[(5R,8S,8aR)-8-methyl-2-oxidanylidene-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid

Systemtic Name: 2-[(5R,8S,8aR)-8-methyl-2-oxidanylidene-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid Openeye Name: 2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid CAS Name: 2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]-2-propenoic acid IUPAC Name: 2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid Traditional Name: 2-[(5R,8S,8aR)-2-keto-8-methyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]acrylic acid Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC2=CC(=O)CC12)C(=C)C(=O)O

Isomeric SMILES

C[C@H]1CC[C@H](CC2=CC(=O)C[C@H]12)C(=C)C(=O)O

InChI

InChI=1S/C14H18O3/c1-8-3-4-10(9(2)14(16)17)5-11-6-12(15)7-13(8)11/h6,8,10,13H,2-5,7H2,1H3,(H,16,17)/t8-,10+,13+/m0/s1