ethyl (3aS,5aS)-3a,5a-dimethyl-10-oxidanylidene-3,4,5,8-tetrahydro-2H-benzo[f]azulene-9-carboxylate

Systemtic Name: ethyl (3aS,5aS)-3a,5a-dimethyl-10-oxidanylidene-3,4,5,8-tetrahydro-2H-benzo[f]azulene-9-carboxylate Openeye Name: ethyl (3aS,5aS)-3a,5a-dimethyl-10-oxo-3,4,5,8-tetrahydro-2H-benzo[f]azulene-9-carboxylate CAS Name: (3aS,5aS)-3a,5a-dimethyl-10-oxo-3,4,5,8-tetrahydro-2H-benzo[f]azulene-9-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,5aS)-3a,5a-dimethyl-10-oxo-3,4,5,8-tetrahydro-2H-benzo[f]azulene-9-carboxylate Traditional Name: (3aS,5aS)-10-keto-3a,5a-dimethyl-3,4,5,8-tetrahydro-2H-benz[f]azulene-9-carboxylic acid ethyl ester Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=O)C3=CCCC3(CCC2(C=CC1)C)C

Isomeric SMILES

CCOC(=O)C1=C2C(=O)C3=CCC[C@]3(CC[C@]2(C=CC1)C)C

InChI

InChI=1S/C19H24O3/c1-4-22-17(21)13-7-5-10-19(3)12-11-18(2)9-6-8-14(18)16(20)15(13)19/h5,8,10H,4,6-7,9,11-12H2,1-3H3/t18-,19+/m0/s1