methyl (2S)-2-(3,8-dimethylazulen-5-yl)propanoate

Systemtic Name: methyl (2S)-2-(3,8-dimethylazulen-5-yl)propanoate Openeye Name: methyl (2S)-2-(3,8-dimethylazulen-5-yl)propanoate CAS Name: (2S)-2-(3,8-dimethyl-5-azulenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3,8-dimethylazulen-5-yl)propanoate Traditional Name: (2S)-2-(3,8-dimethylazulen-5-yl)propionic acid methyl ester Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=C2C=C(C=C1)C(C)C(=O)OC)C

Isomeric SMILES

CC1=C2C=CC(=C2C=C(C=C1)[C@H](C)C(=O)OC)C

InChI

InChI=1S/C16H18O2/c1-10-5-7-13(12(3)16(17)18-4)9-15-11(2)6-8-14(10)15/h5-9,12H,1-4H3/t12-/m0/s1