(1S,4aS,8aR)-1,4a-dimethyl-5-oxidanylidene-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylic acid

Systemtic Name: (1S,4aS,8aR)-1,4a-dimethyl-5-oxidanylidene-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylic acid Openeye Name: (1S,4aS,8aR)-1,4a-dimethyl-5-oxo-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylic acid CAS Name: (1S,4aS,8aR)-1,4a-dimethyl-5-oxo-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylic acid IUPAC Name: (1S,4aS,8aR)-1,4a-dimethyl-5-oxo-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylic acid Traditional Name: (1S,4aS,8aR)-5-keto-1,4a-dimethyl-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylic acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CC=CC2=O)(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-12-7-4-8-13(2,11(15)16)9(12)5-3-6-10(12)14/h3,6,9H,4-5,7-8H2,1-2H3,(H,15,16)/t9-,12+,13+/m1/s1